1 | # ---------------------------------------------------------------------- |
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2 | # HUBZERO: server for VMD |
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3 | # |
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4 | # This program runs VMD and acts as a server for client applications. |
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5 | # ---------------------------------------------------------------------- |
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6 | # Michael McLennan (mmclennan@purdue.edu) |
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7 | # ====================================================================== |
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8 | # Copyright (c) 2013 - HUBzero Foundation, LLC |
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9 | # ====================================================================== |
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10 | |
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11 | # The VMD TCL interpreter is by default interactive. Turn this off |
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12 | # so that unknown commands like "scene" don't get exec-ed. |
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13 | set ::tcl_interactive 0 |
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14 | |
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15 | proc bgerror {mesg} { |
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16 | puts stderr "SERVER ERROR: $mesg" |
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17 | } |
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18 | |
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19 | # parse command line args |
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20 | set Paradigm "socket" |
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21 | while {[llength $argv] > 0} { |
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22 | set opt [lindex $argv 0] |
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23 | set argv [lrange $argv 1 end] |
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24 | |
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25 | switch -- $opt { |
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26 | -socket { set Paradigm "socket" } |
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27 | -stdio { set Paradigm "stdio" } |
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28 | default { |
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29 | puts stderr "bad option \"$opt\": should be -socket or -stdio" |
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30 | } |
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31 | } |
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32 | } |
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33 | |
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34 | # use this to take snapshots to send to clients |
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35 | image create photo SnapShot |
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36 | |
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37 | # set the screen to a good size |
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38 | set DisplaySize(w) 300 |
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39 | set DisplaySize(h) 300 |
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40 | display resize $DisplaySize(w) $DisplaySize(h) |
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41 | set DisplaySize(changed) 0 |
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42 | |
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43 | # capture initial display settings for later reset |
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44 | display antialias on |
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45 | |
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46 | set DisplayProps(options) "" |
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47 | foreach key { |
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48 | ambientocclusion antialias aoambient aodirect |
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49 | backgroundgradient |
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50 | culling cuestart cueend cuedensity cuemode |
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51 | depthcue distance |
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52 | eyesep |
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53 | farclip focallength |
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54 | height |
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55 | nearclip |
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56 | projection |
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57 | shadows stereo |
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58 | } { |
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59 | if {$key eq "nearclip" || $key eq "farclip"} { |
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60 | append DisplayProps(options) [list display $key set [display get $key]] "\n" |
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61 | } else { |
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62 | append DisplayProps(options) [list display $key [display get $key]] "\n" |
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63 | } |
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64 | } |
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65 | |
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66 | # initialize work queue and epoch counter (see server_send_image) |
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67 | set Epoch 0 |
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68 | set Work(queue) "" |
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69 | set Sendqueue "" |
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70 | set Scenes(@CURRENT) "" |
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71 | |
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72 | set parser [interp create -safe] |
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73 | |
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74 | foreach cmd { |
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75 | axes |
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76 | color |
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77 | gettimestep |
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78 | graphics |
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79 | imd |
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80 | label |
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81 | vmd_label |
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82 | light |
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83 | material |
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84 | measure |
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85 | mobile |
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86 | mol |
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87 | molinfo |
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88 | molecule |
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89 | mouse |
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90 | parallel |
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91 | plugin |
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92 | rawtimestep |
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93 | render |
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94 | rotate |
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95 | rotmat |
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96 | scale |
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97 | vmd_scale |
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98 | spaceball |
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99 | stage |
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100 | tkrender |
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101 | tool |
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102 | translate |
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103 | user |
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104 | vmdcollab |
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105 | vmdcon |
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106 | vmdinfo |
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107 | vmdbench |
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108 | volmap |
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109 | } { |
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110 | $parser alias $cmd $cmd |
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111 | } |
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112 | |
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113 | # ---------------------------------------------------------------------- |
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114 | # USAGE: display option ?arg arg...? |
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115 | # |
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116 | # Executes the "command arg arg..." string in the server and substitutes |
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117 | # the result into the template string in place of each "%v" field. |
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118 | # Sends the result back to the client. |
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119 | # ---------------------------------------------------------------------- |
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120 | proc cmd_display {args} { |
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121 | set option [lindex $args 0] |
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122 | if {[lsearch {resize reposition rendermode update fps} $option] >= 0} { |
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123 | # ignore these commands -- they cause trouble |
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124 | return "" |
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125 | } |
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126 | eval display $args |
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127 | } |
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128 | $parser alias display cmd_display |
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129 | |
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130 | # ---------------------------------------------------------------------- |
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131 | # USAGE: tellme "command template with %v" command arg arg... |
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132 | # |
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133 | # Executes the "command arg arg..." string in the server and substitutes |
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134 | # the result into the template string in place of each "%v" field. |
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135 | # Sends the result back to the client. |
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136 | # ---------------------------------------------------------------------- |
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137 | proc cmd_tellme {fmt args} { |
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138 | global parser client |
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139 | |
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140 | # evaluate args as a command and subst the result in the fmt string |
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141 | if {[catch {$parser eval $args} result] == 0} { |
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142 | server_send_result $client "nv>[string map [list %v $result] $fmt]" |
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143 | } else { |
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144 | server_oops $client $result |
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145 | } |
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146 | } |
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147 | $parser alias tellme cmd_tellme |
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148 | |
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149 | # ---------------------------------------------------------------------- |
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150 | # USAGE: queryinfo <x> <y> ?-prev atomid atomid? |
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151 | # USAGE: queryinfo <x> <y> ?-prev atomid? |
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152 | # USAGE: queryinfo <x> <y> |
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153 | # |
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154 | # Picks the atom at screen coordinate <x>,<y> and returns information |
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155 | # about it. If one previous atom is specified, then this command |
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156 | # returns the bond length between the previous atom and the current |
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157 | # one. If two previous atoms are specified, then it returns the |
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158 | # angle between the three atoms. |
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159 | # ---------------------------------------------------------------------- |
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160 | proc cmd_queryinfo {x y args} { |
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161 | global DisplayProps MolNames MolInfo |
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162 | |
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163 | # handle command arguments |
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164 | set prevatoms "" |
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165 | while {[llength $args] > 0} { |
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166 | set option [lindex $args 0] |
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167 | set args [lrange $args 1 end] |
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168 | if {$option eq "-prev"} { |
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169 | while {[llength $args] > 0} { |
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170 | set val [lindex $args 0] |
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171 | if {[regexp {^[0-9]} $val]} { |
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172 | lappend prevatoms $val |
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173 | set args [lrange $args 1 end] |
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174 | } else { |
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175 | break |
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176 | } |
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177 | } |
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178 | } else { |
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179 | error "bad option \"$option\": should be -prev" |
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180 | } |
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181 | } |
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182 | |
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183 | # be careful -- VMD uses coordinates from LOWER-left corner of window |
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184 | set vmdy [expr {$DisplayProps(frameh)-$y}] |
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185 | |
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186 | set vals [pick $x $vmdy] |
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187 | if {$vals ne ""} { |
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188 | array set data $vals |
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189 | |
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190 | # map the molecule ID back to the name used within MD Showcase |
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191 | foreach molname $MolNames { |
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192 | if {$MolInfo($molname) == $data(mol)} { |
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193 | set data(molname) $molname |
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194 | break |
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195 | } |
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196 | } |
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197 | |
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198 | # pass back the click coord on screen so we know where this came from |
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199 | set data(screenx) $x |
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200 | set data(screeny) $y |
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201 | |
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202 | # if there are -prev atoms, query extra info |
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203 | set curr [list $data(index) $data(mol)] |
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204 | set meas $prevatoms |
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205 | set i [lsearch -exact $meas $curr] |
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206 | if {$i >= 0} { |
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207 | set meas [lreplace $meas $i $i] |
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208 | } |
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209 | set meas [linsert $meas 0 $curr] |
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210 | set meas [lrange $meas 0 2] |
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211 | |
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212 | switch -- [llength $meas] { |
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213 | 2 { |
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214 | set data(bondlength) [measure bond $meas] |
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215 | } |
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216 | 3 { |
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217 | set data(bondlength) [measure bond [lrange $meas 0 1]] |
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218 | set data(bondlength2) [measure bond [lrange $meas 1 2]] |
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219 | set data(angle) [measure angle $meas] |
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220 | } |
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221 | } |
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222 | |
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223 | # convert data back to return value |
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224 | set vals [array get data] |
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225 | } |
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226 | return $vals |
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227 | } |
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228 | $parser alias queryinfo cmd_queryinfo |
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229 | |
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230 | # ---------------------------------------------------------------------- |
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231 | # USAGE: resize <w> <h> |
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232 | # |
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233 | # Resizes the visualization window to the given width <w> and height |
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234 | # <h>. The next image sent should be this size. |
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235 | # ---------------------------------------------------------------------- |
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236 | proc cmd_resize {w h} { |
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237 | global DisplayProps |
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238 | |
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239 | # store the desired size in case we downscale |
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240 | set DisplayProps(framew) $w |
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241 | set DisplayProps(frameh) $h |
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242 | |
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243 | server_safe_resize $w $h |
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244 | } |
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245 | $parser alias resize cmd_resize |
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246 | |
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247 | # ---------------------------------------------------------------------- |
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248 | # USAGE: setview ?-rotate <mtx>? ?-scale <mtx>? ?-center <mtx>? ?-global <mtx>? |
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249 | # |
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250 | # Sets the view matrix for one or more components of the view. This |
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251 | # is a convenient way of getting a view for a particular frame just |
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252 | # right in one shot. |
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253 | # ---------------------------------------------------------------------- |
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254 | proc cmd_setview {args} { |
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255 | if {[llength $args] == 8} { |
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256 | # setting all matrices? then start clean |
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257 | display resetview |
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258 | } |
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259 | foreach {key val} $args { |
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260 | switch -- $key { |
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261 | -rotate { |
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262 | molinfo top set rotate_matrix [list $val] |
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263 | } |
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264 | -scale { |
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265 | molinfo top set scale_matrix [list $val] |
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266 | } |
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267 | -center { |
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268 | molinfo top set center_matrix [list $val] |
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269 | } |
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270 | -global { |
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271 | molinfo top set global_matrix [list $val] |
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272 | } |
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273 | default { |
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274 | error "bad option \"$key\": should be -rotate, -scale, -center, or -global" |
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275 | } |
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276 | } |
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277 | } |
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278 | } |
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279 | $parser alias setview cmd_setview |
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280 | |
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281 | # ---------------------------------------------------------------------- |
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282 | # USAGE: drag start|end |
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283 | # |
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284 | # Resizes the visualization window to the given width <w> and height |
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285 | # <h>. The next image sent should be this size. |
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286 | # ---------------------------------------------------------------------- |
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287 | proc cmd_drag {action} { |
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288 | global DisplayProps |
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289 | |
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290 | switch -- $action { |
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291 | start { |
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292 | # simplify rendering so it goes faster during drag operations |
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293 | set neww [expr {round($DisplayProps(framew)/2.0)}] |
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294 | set newh [expr {round($DisplayProps(frameh)/2.0)}] |
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295 | server_safe_resize $neww $newh |
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296 | display rendermode Normal |
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297 | display shadows off |
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298 | |
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299 | foreach nmol [molinfo list] { |
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300 | set max [molinfo $nmol get numreps] |
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301 | for {set nrep 0} {$nrep < $max} {incr nrep} { |
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302 | mol modstyle $nrep $nmol "Lines" |
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303 | } |
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304 | } |
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305 | } |
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306 | end { |
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307 | # put original rendering options back |
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308 | server_safe_resize $DisplayProps(framew) $DisplayProps(frameh) |
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309 | display rendermode $DisplayProps(rendermode) |
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310 | display shadows $DisplayProps(shadows) |
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311 | |
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312 | # restore rendering methods for all representations |
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313 | foreach nmol [molinfo list] { |
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314 | set max [molinfo $nmol get numreps] |
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315 | for {set nrep 0} {$nrep < $max} {incr nrep} { |
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316 | mol modstyle $nrep $nmol $DisplayProps(rep-$nmol-$nrep) |
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317 | } |
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318 | } |
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319 | } |
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320 | default { |
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321 | error "bad option \"$action\": should be start or end" |
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322 | } |
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323 | } |
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324 | } |
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325 | $parser alias drag cmd_drag |
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326 | |
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327 | # ---------------------------------------------------------------------- |
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328 | # USAGE: setquality normal|high |
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329 | # |
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330 | # Sets the rendering quality for the scene--either "high" (GLSL) or |
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331 | # normal. |
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332 | # ---------------------------------------------------------------------- |
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333 | proc cmd_setquality {newval} { |
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334 | global DisplayProps |
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335 | |
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336 | switch -- $newval { |
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337 | high { |
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338 | display rendermode GLSL |
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339 | set DisplayProps(rendermode) "GLSL" |
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340 | } |
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341 | normal { |
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342 | display rendermode Normal |
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343 | set DisplayProps(rendermode) "Normal" |
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344 | } |
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345 | default { |
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346 | error "bad quality value \"$newval\": should be normal or high" |
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347 | } |
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348 | } |
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349 | } |
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350 | $parser alias setquality cmd_setquality |
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351 | |
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352 | # ---------------------------------------------------------------------- |
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353 | # USAGE: smoothreps <value> |
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354 | # |
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355 | # Changes the smoothing factor for all representations of the current |
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356 | # molecule. |
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357 | # ---------------------------------------------------------------------- |
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358 | proc cmd_smoothreps {val} { |
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359 | if {$val < 0} { |
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360 | error "bad smoothing value \"$val\": should be >= 0" |
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361 | } |
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362 | foreach nmol [molinfo list] { |
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363 | set max [molinfo $nmol get numreps] |
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364 | for {set nrep 0} {$nrep < $max} {incr nrep} { |
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365 | mol smoothrep $nmol $nrep $val |
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366 | } |
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367 | } |
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368 | } |
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369 | $parser alias smoothreps cmd_smoothreps |
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370 | |
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371 | # ---------------------------------------------------------------------- |
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372 | # USAGE: animate <option> <args>... |
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373 | # USAGE: rock off |
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374 | # USAGE: rock x|y|z by <step> ?<n>? |
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375 | # |
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376 | # The usual VMD "animate" and "rock" commands are problematic for this |
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377 | # server. If we're going to rock or play the animation, the client |
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378 | # will do it. Intercept any "animate" and "rock" commands in the scene |
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379 | # scripts and do nothing. |
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380 | # ---------------------------------------------------------------------- |
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381 | proc cmd_animate {args} { |
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382 | # do nothing |
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383 | } |
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384 | $parser alias animate cmd_animate |
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385 | |
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386 | proc cmd_rock {args} { |
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387 | # do nothing |
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388 | } |
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389 | $parser alias rock cmd_rock |
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390 | |
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391 | # ---------------------------------------------------------------------- |
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392 | # These commands just confuse things, so ignore them silently. |
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393 | # ---------------------------------------------------------------------- |
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394 | proc cmd_noop {args} { |
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395 | # do nothing |
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396 | } |
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397 | |
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398 | $parser alias sleep cmd_noop |
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399 | $parser alias menu cmd_noop |
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400 | $parser alias vmd_menu cmd_noop |
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401 | $parser alias play cmd_noop |
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402 | $parser alias quit cmd_noop |
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403 | |
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404 | # ---------------------------------------------------------------------- |
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405 | # USAGE: load <file> <file>... |
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406 | # |
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407 | # Loads the molecule data from one or more files, which may be PDB, |
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408 | # DCD, PSF, etc. |
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409 | # ---------------------------------------------------------------------- |
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410 | proc cmd_load {args} { |
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411 | global MolInfo MolNames |
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412 | |
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413 | # clear all existing molecules |
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414 | foreach nmol [molinfo list] { |
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415 | mol delete $nmol |
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416 | } |
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417 | catch {unset MolInfo} |
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418 | set MolNames "" |
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419 | |
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420 | # load new files |
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421 | if {![regexp {^@name:} $args]} { |
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422 | # make sure that there is at least one name in the list |
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423 | set args [linsert $args 0 "@name:0"] |
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424 | } |
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425 | |
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426 | set slot 0 |
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427 | foreach file $args { |
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428 | if {[regexp {^@name:(.+)} $file match name]} { |
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429 | set op "new" |
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430 | continue |
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431 | } |
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432 | mol $op $file waitfor all |
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433 | |
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434 | if {$op eq "new"} { |
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435 | set newnum [lindex [molinfo list] end] |
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436 | if {[lsearch -exact MolNames $name] < 0} { |
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437 | lappend MolNames $name |
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438 | } |
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439 | set MolInfo($name) $newnum |
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440 | set MolInfo($slot) $newnum |
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441 | incr slot |
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442 | set op "addfile" |
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443 | } |
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444 | } |
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445 | |
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446 | # BE CAREFUL -- force a "display update" here |
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447 | # that triggers something in VMD that changes view matrices now, |
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448 | # so if we change them later, the new values stick |
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449 | display update |
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450 | } |
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451 | $parser alias load cmd_load |
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452 | |
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453 | # ---------------------------------------------------------------------- |
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454 | # USAGE: scene define <name> <script> |
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455 | # USAGE: scene show <name> ?-before <viewCmd>? ?-after <viewCmd>? |
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456 | # USAGE: scene clear |
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457 | # USAGE: scene forget ?<name> <name>...? |
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458 | # |
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459 | # Used to define and manipulate scenes of the trajectory information |
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460 | # loaded previously by the "load" command. The "define" operation |
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461 | # defines the script that loads a scene called <name>. The "show" |
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462 | # operation executes that script to show the scene. The "clear" |
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463 | # operation clears the current scene (usually in preparation for |
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464 | # showing another scene). The "forget" operation erases one or more |
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465 | # scene definitions; if no names are specified, then all scenes are |
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466 | # forgotten. |
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467 | # ---------------------------------------------------------------------- |
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468 | proc cmd_scene {option args} { |
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469 | global Scenes Views MolInfo DisplayProps parser |
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470 | |
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471 | switch -- $option { |
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472 | define { |
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473 | if {[llength $args] != 2} { |
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474 | error "wrong # args: should be \"scene define name script\"" |
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475 | } |
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476 | set name [lindex $args 0] |
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477 | set script [lindex $args 1] |
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478 | set Scenes($name) $script |
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479 | } |
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480 | show { |
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481 | if {[llength $args] < 1 || [llength $args] > 5} { |
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482 | error "wrong # args: should be \"scene show name ?-before cmd? ?-after cmd?\"" |
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483 | } |
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484 | set name [lindex $args 0] |
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485 | if {![info exists Scenes($name)]} { |
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486 | error "bad scene name \"$name\": should be one of [join [array names Scenes] {, }]" |
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487 | } |
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488 | |
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489 | set triggers(before) "" |
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490 | set triggers(after) "" |
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491 | foreach {key val} [lrange $args 1 end] { |
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492 | switch -- $key { |
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493 | -before { set triggers(before) $val } |
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494 | -after { set triggers(after) $val } |
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495 | default { error "bad option \"$key\": should be -before, -after" } |
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496 | } |
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497 | } |
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498 | |
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499 | # if -before arg was given, send back the view right now |
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500 | if {$triggers(before) ne "" && $Scenes(@CURRENT) ne ""} { |
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501 | cmd_tellme $triggers(before) getview |
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502 | } |
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503 | |
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504 | # clear the old scene |
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505 | cmd_scene clear |
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506 | display resetview |
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507 | |
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508 | # use a safe interp to keep things safe |
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509 | foreach val [$parser eval {info vars}] { |
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510 | # clear all variables created by previous scripts |
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511 | $parser eval [list catch [list unset $val]] |
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512 | } |
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513 | $parser eval [list array set mol [array get MolInfo]] |
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514 | |
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515 | if {[catch {$parser eval $Scenes($name)} result]} { |
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516 | error "$result\nwhile loading scene \"$name\"" |
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517 | } |
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518 | |
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519 | # capture display characteristics in case we ever need to reset |
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520 | set DisplayProps(rendermode) "Normal" |
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521 | set DisplayProps(shadows) [display get shadows] |
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522 | |
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523 | foreach nmol [molinfo list] { |
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524 | set max [molinfo $nmol get numreps] |
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525 | for {set nrep 0} {$nrep < $max} {incr nrep} { |
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526 | set style [lindex [molinfo $nmol get "{rep $nrep}"] 0] |
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527 | set DisplayProps(rep-$nmol-$nrep) $style |
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528 | } |
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529 | } |
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530 | |
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531 | # store the scene name for later |
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532 | set Scenes(@CURRENT) $name |
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533 | |
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534 | # if -after arg was given, send back the view after the script |
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535 | if {$triggers(after) ne ""} { |
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536 | cmd_tellme $triggers(after) getview |
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537 | } |
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538 | } |
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539 | clear { |
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540 | foreach mol [molinfo list] { |
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541 | set numOfRep [lindex [mol list $mol] 12] |
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542 | for {set i 1} {$i <= $numOfRep} {incr i} { |
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543 | mol delrep 0 $mol |
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544 | } |
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545 | } |
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546 | set Scenes(@CURRENT) "" |
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547 | catch {unset Views} |
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548 | |
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549 | # reset the server properties |
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550 | axes location off |
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551 | color Display Background black |
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552 | eval $DisplayProps(options) |
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553 | } |
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554 | forget { |
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555 | if {[llength $args] == 0} { |
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556 | set args [array names Scenes] |
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557 | } |
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558 | foreach name $args { |
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559 | if {$name eq "@CURRENT"} continue |
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560 | catch {unset Scenes($name)} |
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561 | if {$name eq $Scenes(@CURRENT)} { |
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562 | set Scenes(@CURRENT) "" |
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563 | } |
---|
564 | } |
---|
565 | } |
---|
566 | default { |
---|
567 | error "bad option \"$option\": should be define, show, clear, forget" |
---|
568 | } |
---|
569 | } |
---|
570 | } |
---|
571 | $parser alias scene cmd_scene |
---|
572 | |
---|
573 | # ---------------------------------------------------------------------- |
---|
574 | # USAGE: frames defview <frame> {matrixNames...} {matrixValues...} |
---|
575 | # USAGE: frames time <epochValue> <start> ?<finish>? ?<inc>? ?-defview? |
---|
576 | # USAGE: frames rotate <epochValue> <xa> <ya> <za> <number> |
---|
577 | # USAGE: frames max |
---|
578 | # |
---|
579 | # Used to request one or more frames for an animation. A "time" |
---|
580 | # animation is a series of frames between two time points. A "rotate" |
---|
581 | # animation is a series of frames that rotate the view 360 degrees. |
---|
582 | # |
---|
583 | # The <epochValue> is passed by the client to indicate the relevance of |
---|
584 | # the request. Whenever the client enters a new epoch, it is no longer |
---|
585 | # concerned with any earlier epochs, so the server can ignore pending |
---|
586 | # images that are out of date. The server sends back the epoch with |
---|
587 | # all frames so the client can understand if the frames are relevant. |
---|
588 | # |
---|
589 | # The "defview" operation sets the default view associated with each |
---|
590 | # frame. Animation scripts can change the default view to a series of |
---|
591 | # fly-through views. This operation provides a way of storing those |
---|
592 | # views. |
---|
593 | # |
---|
594 | # For a "time" animation, the <start> is a number of a requested frame. |
---|
595 | # The <finish> is the last frame in the series. The <inc> is the step |
---|
596 | # by which the frames should be generated, which may be larger than 1. |
---|
597 | # |
---|
598 | # For a "rotate" animation, the <xa>,<ya>,<za> angles indicate the |
---|
599 | # direction of the rotation. The <number> is the number of frames |
---|
600 | # requested for a full 360 degree rotation. |
---|
601 | # |
---|
602 | # The "frames max" query returns the maximum number of frames in the |
---|
603 | # trajectory. The server uses this to figure out the limits of |
---|
604 | # animation. |
---|
605 | # ---------------------------------------------------------------------- |
---|
606 | proc cmd_frames {what args} { |
---|
607 | global client Epoch Work Views |
---|
608 | |
---|
609 | # check incoming parameters |
---|
610 | switch -- $what { |
---|
611 | time { |
---|
612 | set epochValue [lindex $args 0] |
---|
613 | set start [lindex $args 1] |
---|
614 | |
---|
615 | set i [lsearch $args -defview] |
---|
616 | if {$i >= 0} { |
---|
617 | set defview 1 |
---|
618 | set args [lreplace $args $i $i] |
---|
619 | } else { |
---|
620 | set defview 0 |
---|
621 | } |
---|
622 | |
---|
623 | set finish [lindex $args 2] |
---|
624 | if {$finish eq ""} { set finish $start } |
---|
625 | set inc [lindex $args 3] |
---|
626 | if {$inc eq ""} { set inc 1 } |
---|
627 | |
---|
628 | if {![string is integer $finish]} { |
---|
629 | server_oops $client "bad animation end \"$finish\" should be integer" |
---|
630 | return |
---|
631 | } |
---|
632 | if {![string is integer $inc] || $inc == 0} { |
---|
633 | server_oops $client "bad animation inc \"$inc\" should be non-zero integer" |
---|
634 | return |
---|
635 | } |
---|
636 | if {($finish < $start && $inc > 0) || ($finish > $start && $inc < 0)} { |
---|
637 | server_oops $client "bad animation limits: from $start to $finish by $inc" |
---|
638 | } |
---|
639 | |
---|
640 | # new epoch? then clean out work queue |
---|
641 | if {$epochValue > $Epoch} { |
---|
642 | catch {unset Work} |
---|
643 | set Work(queue) "" |
---|
644 | set Epoch $epochValue |
---|
645 | } |
---|
646 | |
---|
647 | # add these frames to the queue |
---|
648 | if {$inc > 0} { |
---|
649 | # generate frames in play>> direction |
---|
650 | for {set n $start} {$n <= $finish} {incr n $inc} { |
---|
651 | if {![info exists Work($n)]} { |
---|
652 | lappend Work(queue) [list epoch $epochValue frame $n num $n defview $defview] |
---|
653 | set Work($n) 1 |
---|
654 | } |
---|
655 | } |
---|
656 | } else { |
---|
657 | # generate frames in <<play direction |
---|
658 | for {set n $start} {$n >= $finish} {incr n $inc} { |
---|
659 | if {![info exists Work($n)]} { |
---|
660 | lappend Work(queue) [list epoch $epochValue frame $n num $n defview $defview] |
---|
661 | set Work($n) 1 |
---|
662 | } |
---|
663 | } |
---|
664 | } |
---|
665 | } |
---|
666 | rotate { |
---|
667 | set epochValue [lindex $args 0] |
---|
668 | set mx [lindex $args 1] |
---|
669 | if {![string is double -strict $mx]} { |
---|
670 | server_oops $client "bad mx rotation value \"$mx\" should be double" |
---|
671 | return |
---|
672 | } |
---|
673 | set my [lindex $args 2] |
---|
674 | if {![string is double -strict $my]} { |
---|
675 | server_oops $client "bad my rotation value \"$my\" should be double" |
---|
676 | return |
---|
677 | } |
---|
678 | set mz [lindex $args 3] |
---|
679 | if {![string is double -strict $mz]} { |
---|
680 | server_oops $client "bad mz rotation value \"$mz\" should be double" |
---|
681 | return |
---|
682 | } |
---|
683 | set num [lindex $args 4] |
---|
684 | if {![string is integer -strict $num] || $num < 2} { |
---|
685 | server_oops $client "bad number of rotation frames \"$num\" should be integer > 1" |
---|
686 | return |
---|
687 | } |
---|
688 | |
---|
689 | # |
---|
690 | # Compute the rotation matrix for each rotated view. |
---|
691 | # Start with the current rotation matrix. Rotate that around |
---|
692 | # a vector perpendicular to the plane of rotation for the given |
---|
693 | # angles (mx,my,mz). Find vector that by rotating some vector |
---|
694 | # such as (1,1,1) by the angles (mx,my,mz). Do a couple of |
---|
695 | # times and compute the differences between those vectors. |
---|
696 | # Then, compute the cross product of the differences. The |
---|
697 | # result is the axis of rotation. |
---|
698 | # |
---|
699 | set lastrotx [trans axis x $mx deg] |
---|
700 | set lastroty [trans axis y $my deg] |
---|
701 | set lastrotz [trans axis z $mz deg] |
---|
702 | set lastrot [transmult $lastrotx $lastroty $lastrotz] |
---|
703 | |
---|
704 | set lastvec [list 1 1 1] |
---|
705 | foreach v {1 2} { |
---|
706 | foreach row $lastrot comp {x y z w} { |
---|
707 | # multiply each row by last vector |
---|
708 | set vec($comp) 0 |
---|
709 | for {set i 0} {$i < 3} {incr i} { |
---|
710 | set vec($comp) [expr {$vec($comp) + [lindex $row $i]}] |
---|
711 | } |
---|
712 | } |
---|
713 | set vec${v}(x) [expr {$vec(x)-[lindex $lastvec 0]}] |
---|
714 | set vec${v}(y) [expr {$vec(y)-[lindex $lastvec 1]}] |
---|
715 | set vec${v}(z) [expr {$vec(z)-[lindex $lastvec 2]}] |
---|
716 | |
---|
717 | set lastvec [list $vec(x) $vec(y) $vec(z)] |
---|
718 | set lastrot [transmult $lastrot $lastrotx $lastroty $lastrotz] |
---|
719 | } |
---|
720 | |
---|
721 | set crx [expr {$vec1(y)*$vec2(z)-$vec1(z)*$vec2(y)}] |
---|
722 | set cry [expr {$vec1(z)*$vec2(x)-$vec1(x)*$vec2(z)}] |
---|
723 | set crz [expr {$vec1(x)*$vec2(y)-$vec1(y)*$vec2(x)}] |
---|
724 | |
---|
725 | set angle [expr {360.0/$num}] |
---|
726 | set rotby [transabout [list $crx $cry $crz] $angle deg] |
---|
727 | set rotm [lindex [molinfo top get rotate_matrix] 0] |
---|
728 | |
---|
729 | # compute cross product of (1,1,1,0) and rotated vector from above |
---|
730 | |
---|
731 | for {set n 0} {$n < $num} {incr n} { |
---|
732 | lappend Work(queue) [list epoch $epochValue rotate $rotm num $n defview 0] |
---|
733 | set rotm [transmult $rotby $rotm] |
---|
734 | set Work($n) 1 |
---|
735 | } |
---|
736 | } |
---|
737 | defview { |
---|
738 | if {[llength $args] != 3} { error "wrong # args: should be \"defview matrixNameList matrixValueList\"" } |
---|
739 | set n [lindex $args 0] |
---|
740 | if {![string is int $n]} { error "bad frame value \"$n\"" } |
---|
741 | set Views($n) [lrange $args 1 end] |
---|
742 | } |
---|
743 | max { |
---|
744 | set nmol [lindex [molinfo list] 0] |
---|
745 | if {$nmol ne ""} { |
---|
746 | return [molinfo $nmol get numframes] |
---|
747 | } |
---|
748 | return 0 |
---|
749 | } |
---|
750 | default { |
---|
751 | error "bad option \"$what\": should be defview, time, rotate, max" |
---|
752 | } |
---|
753 | } |
---|
754 | |
---|
755 | # service the queue at some point |
---|
756 | server_send_image -eventually |
---|
757 | } |
---|
758 | $parser alias frames cmd_frames |
---|
759 | |
---|
760 | # ---------------------------------------------------------------------- |
---|
761 | # USAGE: getview |
---|
762 | # |
---|
763 | # Used to query the scaling and centering of the initial view set |
---|
764 | # by VMD after a molecule is loaded. Returns the following: |
---|
765 | # <viewName> -rotate <mtx> -global <mtx> -scale <mtx> -center <mtx> |
---|
766 | # ---------------------------------------------------------------------- |
---|
767 | proc cmd_getview {} { |
---|
768 | global Scenes |
---|
769 | |
---|
770 | if {[llength [molinfo list]] == 0} { return "" } |
---|
771 | if {$Scenes(@CURRENT) eq ""} { return "" } |
---|
772 | |
---|
773 | set rval [list $Scenes(@CURRENT)] ;# start with the scene name |
---|
774 | |
---|
775 | lappend rval -rotate [lindex [molinfo top get rotate_matrix] 0] \ |
---|
776 | -scale [lindex [molinfo top get scale_matrix] 0] \ |
---|
777 | -center [lindex [molinfo top get center_matrix] 0] \ |
---|
778 | -global [lindex [molinfo top get global_matrix] 0] |
---|
779 | |
---|
780 | return $rval |
---|
781 | } |
---|
782 | $parser alias getview cmd_getview |
---|
783 | |
---|
784 | # |
---|
785 | # USAGE: server_safe_resize <width> <height> |
---|
786 | # |
---|
787 | # Use this version instead of "display resize" whenever possible. |
---|
788 | # The VMD "display resize" goes into the event loop, so calling that |
---|
789 | # causes things to execute out of order. Use this method instead to |
---|
790 | # store the change and actually resize later. |
---|
791 | # |
---|
792 | proc server_safe_resize {w h} { |
---|
793 | global DisplaySize |
---|
794 | |
---|
795 | if {$w != $DisplaySize(w) || $h != $DisplaySize(h)} { |
---|
796 | set DisplaySize(w) $w |
---|
797 | set DisplaySize(h) $h |
---|
798 | set DisplaySize(changed) yes |
---|
799 | } |
---|
800 | } |
---|
801 | |
---|
802 | # ---------------------------------------------------------------------- |
---|
803 | # SERVER CORE |
---|
804 | # ---------------------------------------------------------------------- |
---|
805 | proc server_accept {cid addr port} { |
---|
806 | global env |
---|
807 | |
---|
808 | fileevent $cid readable [list server_handle $cid $cid] |
---|
809 | fconfigure $cid -buffering none -blocking 0 |
---|
810 | |
---|
811 | if {[info exists env(LOCAL)]} { |
---|
812 | # identify server type to this client |
---|
813 | # VMD on the hub has this built in, but stock versions can |
---|
814 | # set the environment variable as a work-around |
---|
815 | puts $cid "vmd 0.1" |
---|
816 | } |
---|
817 | } |
---|
818 | |
---|
819 | proc server_handle {cin cout} { |
---|
820 | global parser buffer client |
---|
821 | |
---|
822 | if {[gets $cin line] < 0} { |
---|
823 | # when client drops connection, we can exit |
---|
824 | # nanoscale will spawn a new server next time we need it |
---|
825 | if {[eof $cin]} { |
---|
826 | server_exit $cin $cout |
---|
827 | } |
---|
828 | } else { |
---|
829 | append buffer($cin) $line "\n" |
---|
830 | if {[info complete $buffer($cin)]} { |
---|
831 | set request $buffer($cin) |
---|
832 | set buffer($cin) "" |
---|
833 | set client $cout |
---|
834 | if {[catch {$parser eval $request} result] == 0} { |
---|
835 | server_send_image -eventually |
---|
836 | } else { |
---|
837 | server_oops $cout $result |
---|
838 | if { [string match "invalid command*" $result] } { |
---|
839 | bgerror "server received invalid command: $result" |
---|
840 | exit 1 |
---|
841 | } |
---|
842 | } |
---|
843 | } |
---|
844 | } |
---|
845 | } |
---|
846 | |
---|
847 | proc server_send {cout} { |
---|
848 | global Epoch Sendqueue |
---|
849 | |
---|
850 | # grab the next chunk of output and send it along |
---|
851 | # discard any chunks from an older epoch |
---|
852 | while {[llength $Sendqueue] > 0} { |
---|
853 | set chunk [lindex $Sendqueue 0] |
---|
854 | set Sendqueue [lrange $Sendqueue 1 end] |
---|
855 | |
---|
856 | catch {unset data}; array set data $chunk |
---|
857 | if {$data(epoch) < 0 || $data(epoch) == $Epoch} { |
---|
858 | catch {puts $cout $data(cmd)} |
---|
859 | |
---|
860 | # if this command has a binary data block, send it specially |
---|
861 | if {[string length $data(bytes)] > 0} { |
---|
862 | fconfigure $cout -translation binary |
---|
863 | catch {puts $cout $data(bytes)} |
---|
864 | fconfigure $cout -translation auto |
---|
865 | } |
---|
866 | break |
---|
867 | } |
---|
868 | } |
---|
869 | |
---|
870 | # nothing left? Then stop callbacks until we get more |
---|
871 | if {[llength $Sendqueue] == 0} { |
---|
872 | fileevent $cout writable "" |
---|
873 | server_send_image -eventually |
---|
874 | } |
---|
875 | } |
---|
876 | |
---|
877 | proc server_exit {cin cout} { |
---|
878 | catch {close $cin} |
---|
879 | catch {exit 0} |
---|
880 | } |
---|
881 | |
---|
882 | # ---------------------------------------------------------------------- |
---|
883 | # SERVER RESPONSES |
---|
884 | # ---------------------------------------------------------------------- |
---|
885 | |
---|
886 | # turn off constant updates -- only need them during server_send_image |
---|
887 | display update off |
---|
888 | |
---|
889 | proc server_send_image {{when -now}} { |
---|
890 | global client Epoch Work Views Sendqueue DisplaySize |
---|
891 | |
---|
892 | if {$when eq "-eventually"} { |
---|
893 | after cancel server_send_image |
---|
894 | after 1 server_send_image |
---|
895 | return |
---|
896 | } elseif {$when ne "-now"} { |
---|
897 | error "bad option \"$when\" for server_send_image: should be -now or -eventually" |
---|
898 | } |
---|
899 | |
---|
900 | # is there a display resize pending? then resize and try again later |
---|
901 | if {$DisplaySize(changed)} { |
---|
902 | set DisplaySize(changed) 0 |
---|
903 | after idle [list display resize $DisplaySize(w) $DisplaySize(h)] |
---|
904 | after 20 server_send_image |
---|
905 | return |
---|
906 | } |
---|
907 | |
---|
908 | # loop through requests in the work queue and skip any from an older epoch |
---|
909 | while {1} { |
---|
910 | if {[llength $Work(queue)] == 0} { |
---|
911 | return |
---|
912 | } |
---|
913 | |
---|
914 | set rec [lindex $Work(queue) 0] |
---|
915 | set Work(queue) [lrange $Work(queue) 1 end] |
---|
916 | |
---|
917 | catch {unset item}; array set item $rec |
---|
918 | if {$item(epoch) < $Epoch} { |
---|
919 | catch {unset Work($item(num))} |
---|
920 | continue |
---|
921 | } |
---|
922 | |
---|
923 | # set the frame characteristics and render this frame |
---|
924 | if {[info exists item(frame)]} { |
---|
925 | animate goto $item(frame) |
---|
926 | } elseif {[info exists item(rotate)]} { |
---|
927 | molinfo top set rotate_matrix [list $item(rotate)] |
---|
928 | # send rotation matrix back to the client so we can pause later |
---|
929 | server_send_latest $client [list nv>rotatemtx $item(num) $item(rotate)] |
---|
930 | } else { |
---|
931 | puts "ERROR: bad work frame: [array get item]" |
---|
932 | } |
---|
933 | |
---|
934 | # flag to use the stored default view? then set that |
---|
935 | if {[info exists item(defview)] && $item(defview)} { |
---|
936 | if {[info exists Views($item(frame))]} { |
---|
937 | eval molinfo top set $Views($item(frame)) |
---|
938 | } |
---|
939 | } |
---|
940 | catch {unset Work($item(num))} |
---|
941 | break |
---|
942 | } |
---|
943 | |
---|
944 | # force VMD to update and grab the screen |
---|
945 | display update |
---|
946 | tkrender SnapShot |
---|
947 | |
---|
948 | set data [SnapShot data -format PPM] |
---|
949 | server_send_latest $client "nv>image epoch $item(epoch) frame $item(num) length [string length $data]" $data |
---|
950 | |
---|
951 | # if there's more work in the queue, try again later |
---|
952 | if {[llength $Work(queue)] > 0} { |
---|
953 | after 1 server_send_image |
---|
954 | } |
---|
955 | } |
---|
956 | |
---|
957 | proc server_send_result {cout cmd {data ""}} { |
---|
958 | global Sendqueue |
---|
959 | |
---|
960 | # add this result to the output queue |
---|
961 | # use the epoch -1 to force the send even if the epoch has changed |
---|
962 | lappend Sendqueue [list epoch -1 cmd $cmd bytes $data] |
---|
963 | fileevent $cout writable [list server_send $cout] |
---|
964 | } |
---|
965 | |
---|
966 | proc server_send_latest {cout cmd {data ""}} { |
---|
967 | global Epoch Sendqueue |
---|
968 | |
---|
969 | # add this result to the output queue |
---|
970 | # wait until the client is ready, then send the output |
---|
971 | lappend Sendqueue [list epoch $Epoch cmd $cmd bytes $data] |
---|
972 | fileevent $cout writable [list server_send $cout] |
---|
973 | } |
---|
974 | |
---|
975 | proc server_oops {cout mesg} { |
---|
976 | # remove newlines -- all lines must start with nv> |
---|
977 | set mesg [string map {\n " "} $mesg] |
---|
978 | server_send_result $cout "nv>oops [list $mesg]" |
---|
979 | } |
---|
980 | |
---|
981 | if {$Paradigm eq "socket"} { |
---|
982 | socket -server server_accept 2018 |
---|
983 | } else { |
---|
984 | set cin $vmd_client(read) |
---|
985 | set cout $vmd_client(write) |
---|
986 | |
---|
987 | fileevent $cin readable [list server_handle $cin $cout] |
---|
988 | fconfigure $cout -buffering none -blocking 0 |
---|
989 | } |
---|
990 | |
---|
991 | # vmd automatically drops into an event loop at this point... |
---|
992 | # |
---|
993 | # The VMD TCL interpreter is by default interactive. Their version |
---|
994 | # of tkconsole always turns this on. Turn this off |
---|
995 | # so that unknown commands like "scene" don't get exec-ed. |
---|
996 | set ::tcl_interactive 0 |
---|