1 | |
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2 | # ---------------------------------------------------------------------- |
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3 | # COMPONENT: molvisviewer - view a molecule in 3D |
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4 | # |
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5 | # This widget brings up a 3D representation of a molecule |
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6 | # It connects to the Molvis server running on a rendering farm, |
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7 | # transmits data, and displays the results. |
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8 | # ====================================================================== |
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9 | # AUTHOR: Michael McLennan, Purdue University |
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10 | # Copyright (c) 2004-2005 Purdue Research Foundation |
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11 | # |
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12 | # See the file "license.terms" for information on usage and |
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13 | # redistribution of this file, and for a DISCLAIMER OF ALL WARRANTIES. |
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14 | # ====================================================================== |
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15 | package require Itk |
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16 | package require BLT |
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17 | package require Img |
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18 | |
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19 | option add *MolvisViewer.width 4i widgetDefault |
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20 | option add *MolvisViewer.height 4i widgetDefault |
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21 | option add *MolvisViewer.foreground black widgetDefault |
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22 | option add *MolvisViewer.controlBackground gray widgetDefault |
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23 | option add *MolvisViewer.controlDarkBackground #999999 widgetDefault |
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24 | option add *MolvisViewer.font -*-helvetica-medium-r-normal-*-12-* widgetDefault |
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25 | |
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26 | # must use this name -- plugs into Rappture::resources::load |
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27 | proc MolvisViewer_init_resources {} { |
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28 | Rappture::resources::register \ |
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29 | molvis_server Rappture::MolvisViewer::SetServerList |
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30 | } |
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31 | |
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32 | set debug 0 |
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33 | proc debug { args } { |
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34 | global debug |
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35 | if { $debug } { |
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36 | puts stderr "[info level -1]: $args" |
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37 | } |
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38 | } |
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39 | |
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40 | itcl::class Rappture::MolvisViewer { |
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41 | inherit Rappture::VisViewer |
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42 | |
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43 | itk_option define -device device Device "" |
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44 | |
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45 | constructor { hostlist args } { |
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46 | Rappture::VisViewer::constructor $hostlist |
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47 | } { |
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48 | # defined below |
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49 | } |
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50 | destructor { |
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51 | # defined below |
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52 | } |
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53 | public proc SetServerList { namelist } { |
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54 | Rappture::VisViewer::SetServerList "pymol" $namelist |
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55 | } |
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56 | public method Connect {} |
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57 | public method Disconnect {} |
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58 | public method isconnected {} |
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59 | public method download {option args} |
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60 | |
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61 | public method add {dataobj {options ""}} |
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62 | public method get {} |
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63 | public method delete {args} |
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64 | public method parameters {title args} { # do nothing } |
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65 | |
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66 | public method emblems {option} |
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67 | public method rock {option} |
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68 | public method representation {option {model "all"} } |
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69 | |
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70 | protected method _send {args} |
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71 | protected method _update { args } |
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72 | protected method _rebuild { } |
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73 | protected method _zoom {option} |
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74 | protected method _configure {w h} |
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75 | protected method _unmap {} |
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76 | protected method _map {} |
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77 | protected method _vmouse2 {option b m x y} |
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78 | protected method _vmouse {option b m x y} |
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79 | |
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80 | private method _receive_image { size cacheid frame rock } |
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81 | |
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82 | private variable _inrebuild 0 |
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83 | |
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84 | private variable _mevent ;# info used for mouse event operations |
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85 | private variable _rocker ;# info used for rock operations |
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86 | private variable _dlist "" ;# list of dataobj objects |
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87 | private variable _dataobjs ;# data objects on server |
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88 | private variable _dobj2transparency ;# maps dataobj => transparency |
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89 | private variable _dobj2raise ;# maps dataobj => raise flag 0/1 |
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90 | private variable _dobj2ghost |
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91 | |
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92 | private variable _model |
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93 | private variable _mlist |
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94 | private variable _mrepresentation "ballnstick" |
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95 | |
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96 | private variable _imagecache |
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97 | private variable _state |
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98 | private variable _labels "default" |
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99 | private variable _cacheid "" |
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100 | private variable _cacheimage "" |
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101 | private variable _busy 0 |
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102 | |
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103 | private common _settings ;# array of settings for all known widgets |
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104 | } |
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105 | |
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106 | itk::usual MolvisViewer { |
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107 | keep -background -foreground -cursor -font |
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108 | } |
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109 | |
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110 | # ---------------------------------------------------------------------- |
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111 | # CONSTRUCTOR |
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112 | # ---------------------------------------------------------------------- |
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113 | itcl::body Rappture::MolvisViewer::constructor {hostlist args} { |
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114 | # Register events to the dispatcher. Base class expects !rebuild |
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115 | # event to be registered. |
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116 | |
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117 | # Rebuild |
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118 | $_dispatcher register !rebuild |
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119 | $_dispatcher dispatch $this !rebuild "[itcl::code $this _rebuild]; list" |
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120 | # Rocker |
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121 | $_dispatcher register !rocker |
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122 | $_dispatcher dispatch $this !rocker "[itcl::code $this rock step]; list" |
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123 | # Mouse Event |
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124 | $_dispatcher register !mevent |
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125 | $_dispatcher dispatch $this !mevent "[itcl::code $this _mevent]; list" |
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126 | |
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127 | # Populate the slave interpreter with commands to handle responses from |
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128 | # the visualization server. |
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129 | $_parser alias image [itcl::code $this _receive_image] |
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130 | |
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131 | set _rocker(dir) 1 |
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132 | set _rocker(client) 0 |
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133 | set _rocker(server) 0 |
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134 | set _rocker(on) 0 |
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135 | set _state(server) 1 |
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136 | set _state(client) 1 |
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137 | set _hostlist $hostlist |
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138 | |
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139 | array set _settings [subst { |
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140 | $this-model $_mrepresentation |
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141 | $this-modelimg [Rappture::icon ballnstick] |
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142 | $this-emblems 0 |
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143 | $this-rock 0 |
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144 | }] |
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145 | |
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146 | # |
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147 | # Set up the widgets in the main body |
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148 | # |
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149 | itk_component add zoom { |
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150 | frame $itk_component(controls).zoom |
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151 | } { |
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152 | usual |
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153 | rename -background -controlbackground controlBackground Background |
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154 | } |
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155 | pack $itk_component(zoom) -side top |
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156 | |
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157 | itk_component add reset { |
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158 | button $itk_component(zoom).reset \ |
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159 | -borderwidth 1 -padx 1 -pady 1 \ |
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160 | -bitmap [Rappture::icon reset] \ |
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161 | -command [itcl::code $this _send "reset"] |
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162 | } { |
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163 | usual |
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164 | ignore -borderwidth |
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165 | rename -highlightbackground -controlbackground controlBackground Background |
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166 | } |
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167 | pack $itk_component(reset) -side left -padx {4 1} -pady 4 |
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168 | Rappture::Tooltip::for $itk_component(reset) "Reset the view to the default zoom level" |
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169 | |
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170 | itk_component add zoomin { |
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171 | button $itk_component(zoom).zin \ |
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172 | -borderwidth 1 -padx 1 -pady 1 \ |
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173 | -bitmap [Rappture::icon zoomin] \ |
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174 | -command [itcl::code $this _zoom in] |
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175 | } { |
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176 | usual |
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177 | ignore -borderwidth |
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178 | rename -highlightbackground -controlbackground controlBackground Background |
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179 | } |
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180 | pack $itk_component(zoomin) -side left -padx 1 -pady 4 |
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181 | Rappture::Tooltip::for $itk_component(zoomin) "Zoom in" |
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182 | |
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183 | itk_component add zoomout { |
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184 | button $itk_component(zoom).zout \ |
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185 | -borderwidth 1 -padx 1 -pady 1 \ |
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186 | -bitmap [Rappture::icon zoomout] \ |
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187 | -command [itcl::code $this _zoom out] |
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188 | } { |
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189 | usual |
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190 | ignore -borderwidth |
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191 | rename -highlightbackground -controlbackground controlBackground Background |
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192 | } |
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193 | pack $itk_component(zoomout) -side left -padx {1 4} -pady 4 |
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194 | |
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195 | Rappture::Tooltip::for $itk_component(zoomout) "Zoom out" |
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196 | |
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197 | # |
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198 | # Settings panel... |
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199 | # |
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200 | itk_component add settings { |
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201 | button $itk_component(controls).settings -text "Settings..." \ |
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202 | -borderwidth 1 -relief flat -overrelief raised \ |
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203 | -padx 2 -pady 1 \ |
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204 | -command [list $itk_component(controls).panel activate $itk_component(controls).settings left] |
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205 | } { |
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206 | usual |
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207 | ignore -borderwidth |
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208 | rename -background -controlbackground controlBackground Background |
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209 | rename -highlightbackground -controlbackground controlBackground Background |
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210 | } |
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211 | pack $itk_component(settings) -side top -pady {8 2} |
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212 | |
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213 | Rappture::Balloon $itk_component(controls).panel -title "Rendering Options" |
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214 | set inner [$itk_component(controls).panel component inner] |
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215 | frame $inner.model |
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216 | pack $inner.model -side top -fill x |
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217 | set fg [option get $itk_component(hull) font Font] |
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218 | |
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219 | label $inner.model.pict -image $_settings($this-modelimg) |
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220 | pack $inner.model.pict -side left -anchor n |
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221 | label $inner.model.heading -text "Method for drawing atoms:" |
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222 | pack $inner.model.heading -side top -anchor w |
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223 | radiobutton $inner.model.bstick -text "Balls and sticks" \ |
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224 | -command [itcl::code $this representation ballnstick all] \ |
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225 | -variable Rappture::MolvisViewer::_settings($this-model) \ |
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226 | -value ballnstick |
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227 | pack $inner.model.bstick -side top -anchor w |
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228 | radiobutton $inner.model.spheres -text "Spheres" \ |
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229 | -command [itcl::code $this representation spheres all] \ |
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230 | -variable Rappture::MolvisViewer::_settings($this-model) \ |
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231 | -value spheres |
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232 | pack $inner.model.spheres -side top -anchor w |
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233 | radiobutton $inner.model.lines -text "Lines" \ |
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234 | -command [itcl::code $this representation lines all] \ |
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235 | -variable Rappture::MolvisViewer::_settings($this-model) \ |
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236 | -value lines |
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237 | pack $inner.model.lines -side top -anchor w |
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238 | |
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239 | checkbutton $inner.labels -text "Show labels on atoms" \ |
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240 | -command [itcl::code $this emblems update] \ |
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241 | -variable Rappture::MolvisViewer::_settings($this-emblems) |
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242 | pack $inner.labels -side top -anchor w -pady {4 1} |
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243 | |
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244 | checkbutton $inner.rock -text "Rock model back and forth" \ |
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245 | -command [itcl::code $this rock toggle] \ |
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246 | -variable Rappture::MolvisViewer::_settings($this-rock) |
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247 | pack $inner.rock -side top -anchor w -pady {1 4} |
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248 | |
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249 | # |
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250 | # Shortcuts |
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251 | # |
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252 | itk_component add shortcuts { |
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253 | frame $itk_component(controls).shortcuts |
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254 | } { |
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255 | usual |
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256 | rename -background -controlbackground controlBackground Background |
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257 | } |
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258 | pack $itk_component(shortcuts) -side top |
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259 | |
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260 | itk_component add labels { |
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261 | label $itk_component(shortcuts).labels \ |
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262 | -borderwidth 1 -padx 1 -pady 1 \ |
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263 | -relief "raised" -bitmap [Rappture::icon atoms] |
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264 | } { |
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265 | usual |
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266 | ignore -borderwidth |
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267 | rename -highlightbackground -controlbackground controlBackground Background |
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268 | } |
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269 | pack $itk_component(labels) -side left -padx {4 1} -pady 4 -ipadx 1 -ipady 1 |
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270 | Rappture::Tooltip::for $itk_component(labels) "Show/hide the labels on atoms" |
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271 | bind $itk_component(labels) <ButtonPress> \ |
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272 | [itcl::code $this emblems toggle] |
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273 | |
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274 | itk_component add rock { |
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275 | label $itk_component(shortcuts).rock \ |
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276 | -borderwidth 1 -padx 1 -pady 1 \ |
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277 | -relief "raised" -bitmap [Rappture::icon rocker] |
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278 | } { |
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279 | usual |
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280 | ignore -borderwidth |
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281 | rename -highlightbackground -controlbackground controlBackground Background |
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282 | } |
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283 | pack $itk_component(rock) -side left -padx 1 -pady 4 -ipadx 1 -ipady 1 |
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284 | Rappture::Tooltip::for $itk_component(rock) "Rock model back and forth" |
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285 | |
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286 | bind $itk_component(rock) <ButtonPress> \ |
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287 | [itcl::code $this rock toggle] |
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288 | |
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289 | # |
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290 | # RENDERING AREA |
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291 | # |
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292 | |
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293 | set _image(id) "" |
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294 | |
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295 | # set up bindings for rotation |
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296 | bind $itk_component(3dview) <ButtonPress> \ |
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297 | [itcl::code $this _vmouse click %b %s %x %y] |
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298 | bind $itk_component(3dview) <B1-Motion> \ |
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299 | [itcl::code $this _vmouse drag 1 %s %x %y] |
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300 | bind $itk_component(3dview) <ButtonRelease> \ |
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301 | [itcl::code $this _vmouse release %b %s %x %y] |
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302 | |
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303 | # set up bindings to bridge mouse events to server |
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304 | #bind $itk_component(3dview) <ButtonPress> \ |
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305 | # [itcl::code $this _vmouse2 click %b %s %x %y] |
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306 | #bind $itk_component(3dview) <ButtonRelease> \ |
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307 | # [itcl::code $this _vmouse2 release %b %s %x %y] |
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308 | #bind $itk_component(3dview) <B1-Motion> \ |
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309 | # [itcl::code $this _vmouse2 drag 1 %s %x %y] |
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310 | #bind $itk_component(3dview) <B2-Motion> \ |
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311 | # [itcl::code $this _vmouse2 drag 2 %s %x %y] |
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312 | #bind $itk_component(3dview) <B3-Motion> \ |
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313 | # [itcl::code $this _vmouse2 drag 3 %s %x %y] |
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314 | #bind $itk_component(3dview) <Motion> \ |
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315 | # [itcl::code $this _vmouse2 move 0 %s %x %y] |
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316 | |
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317 | bind $itk_component(3dview) <Configure> \ |
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318 | [itcl::code $this _configure %w %h] |
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319 | bind $itk_component(3dview) <Unmap> \ |
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320 | [itcl::code $this _unmap] |
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321 | bind $itk_component(3dview) <Map> \ |
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322 | [itcl::code $this _map] |
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323 | |
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324 | eval itk_initialize $args |
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325 | Connect |
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326 | } |
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327 | |
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328 | # ---------------------------------------------------------------------- |
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329 | # DESTRUCTOR |
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330 | # ---------------------------------------------------------------------- |
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331 | itcl::body Rappture::MolvisViewer::destructor {} { |
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332 | VisViewer::Disconnect |
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333 | |
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334 | image delete $_image(plot) |
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335 | array unset _settings $this-* |
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336 | } |
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337 | |
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338 | # ---------------------------------------------------------------------- |
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339 | # USAGE: download coming |
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340 | # USAGE: download controls <downloadCommand> |
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341 | # USAGE: download now |
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342 | # |
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343 | # Clients use this method to create a downloadable representation |
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344 | # of the plot. Returns a list of the form {ext string}, where |
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345 | # "ext" is the file extension (indicating the type of data) and |
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346 | # "string" is the data itself. |
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347 | # ---------------------------------------------------------------------- |
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348 | itcl::body Rappture::MolvisViewer::download {option args} { |
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349 | switch $option { |
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350 | coming {} |
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351 | controls {} |
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352 | now { |
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353 | return [list .jpg [Rappture::encoding::decode -as b64 [$_image(plot) data -format jpeg]]] |
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354 | } |
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355 | default { |
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356 | error "bad option \"$option\": should be coming, controls, now" |
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357 | } |
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358 | } |
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359 | } |
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360 | |
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361 | # |
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362 | # isconnected -- |
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363 | # |
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364 | # Indicates if we are currently connected to the visualization server. |
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365 | # |
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366 | itcl::body Rappture::MolvisViewer::isconnected {} { |
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367 | return [VisViewer::IsConnected] |
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368 | } |
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369 | |
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370 | |
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371 | # |
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372 | # Connect -- |
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373 | # |
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374 | # Establishes a connection to a new visualization server. |
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375 | # |
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376 | itcl::body Rappture::MolvisViewer::Connect {} { |
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377 | #$_image(plot) blank |
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378 | set hosts [GetServerList "pymol"] |
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379 | if { "" == $hosts } { |
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380 | return 0 |
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381 | } |
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382 | set result [VisViewer::Connect $hosts] |
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383 | if { $result } { |
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384 | set _rocker(server) 0 |
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385 | set _cacheid 0 |
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386 | _send "raw -defer {set auto_color,0}" |
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387 | _send "raw -defer {set auto_show_lines,0}" |
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388 | } |
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389 | return $result |
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390 | } |
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391 | |
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392 | # |
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393 | # Disconnect -- |
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394 | # |
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395 | # Clients use this method to disconnect from the current rendering |
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396 | # server. |
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397 | # |
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398 | itcl::body Rappture::MolvisViewer::Disconnect {} { |
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399 | VisViewer::Disconnect |
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400 | |
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401 | # disconnected -- no more data sitting on server |
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402 | catch { after cancel $_rocker(afterid) } |
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403 | catch { after cancel $_mevent(afterid) } |
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404 | array unset _dataobjs |
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405 | array unset _model |
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406 | array unset _mlist |
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407 | array unset _imagecache |
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408 | |
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409 | set _state(server) 1 |
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410 | set _state(client) 1 |
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411 | set _outbuf "" |
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412 | } |
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413 | |
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414 | itcl::body Rappture::MolvisViewer::_send { args } { |
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415 | if { $_state(server) != $_state(client) } { |
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416 | if { ![SendBytes "frame -defer $_state(client)"] } { |
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417 | set _state(server) $_state(client) |
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418 | } |
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419 | } |
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420 | |
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421 | if { $_rocker(server) != $_rocker(client) } { |
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422 | if { ![SendBytes "rock -defer $_rocker(client)"] } { |
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423 | set _rocker(server) $_rocker(client) |
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424 | } |
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425 | } |
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426 | eval SendBytes $args |
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427 | } |
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428 | |
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429 | # |
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430 | # _receive_image -bytes <size> |
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431 | # |
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432 | # Invoked automatically whenever the "image" command comes in from |
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433 | # the rendering server. Indicates that binary image data with the |
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434 | # specified <size> will follow. |
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435 | # |
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436 | itcl::body Rappture::MolvisViewer::_receive_image { size cacheid frame rock } { |
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437 | set tag "$frame,$rock" |
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438 | if { $cacheid != $_cacheid } { |
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439 | array unset _imagecache |
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440 | set _cacheid $cacheid |
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441 | } |
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442 | set _imagecache($tag) [ReceiveBytes $size] |
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443 | |
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444 | #puts stderr "CACHED: $tag,$cacheid" |
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445 | $_image(plot) configure -data $_imagecache($tag) |
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446 | set _image(id) $tag |
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447 | } |
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448 | |
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449 | |
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450 | # ---------------------------------------------------------------------- |
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451 | # USAGE: _rebuild |
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452 | # |
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453 | # Called automatically whenever something changes that affects the |
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454 | # data in the widget. Clears any existing data and rebuilds the |
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455 | # widget to display new data. |
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456 | # ---------------------------------------------------------------------- |
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457 | itcl::body Rappture::MolvisViewer::_rebuild {} { |
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458 | if { $_inrebuild } { |
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459 | # don't allow overlapping rebuild calls |
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460 | return |
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461 | } |
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462 | |
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463 | #set _inrebuild 1 |
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464 | set changed 0 |
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465 | set _busy 1 |
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466 | |
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467 | $itk_component(3dview) configure -cursor watch |
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468 | |
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469 | # refresh GUI (primarily to make pending cursor changes visible) |
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470 | update idletasks |
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471 | set dlist [get] |
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472 | foreach dev $dlist { |
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473 | set model [$dev get components.molecule.model] |
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474 | set state [$dev get components.molecule.state] |
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475 | |
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476 | if {"" == $model } { |
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477 | set model "molecule" |
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478 | scan $dev "::libraryObj%d" suffix |
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479 | set model $model$suffix |
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480 | } |
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481 | |
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482 | if {"" == $state} { set state $_state(server) } |
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483 | |
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484 | if { ![info exists _mlist($model)] } { # new, turn on |
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485 | set _mlist($model) 2 |
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486 | } elseif { $_mlist($model) == 1 } { # on, leave on |
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487 | set _mlist($model) 3 |
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488 | } elseif { $_mlist($model) == 0 } { # off, turn on |
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489 | set _mlist($model) 2 |
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490 | } |
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491 | if { ![info exists _dataobjs($model-$state)] } { |
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492 | set data1 "" |
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493 | set serial 0 |
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494 | |
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495 | foreach _atom [$dev children -type atom components.molecule] { |
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496 | set symbol [$dev get components.molecule.$_atom.symbol] |
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497 | set xyz [$dev get components.molecule.$_atom.xyz] |
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498 | regsub {,} $xyz {} xyz |
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499 | scan $xyz "%f %f %f" x y z |
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500 | set recname "ATOM " |
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501 | set altLoc "" |
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502 | set resName "" |
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503 | set chainID "" |
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504 | set Seqno "" |
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505 | set occupancy 1 |
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506 | set tempFactor 0 |
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507 | set recID "" |
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508 | set segID "" |
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509 | set element "" |
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510 | set charge "" |
---|
511 | set atom $symbol |
---|
512 | set line [format "%6s%5d %4s%1s%3s %1s%5s %8.3f%8.3f%8.3f%6.2f%6.2f%8s\n" $recname $serial $atom $altLoc $resName $chainID $Seqno $x $y $z $occupancy $tempFactor $recID] |
---|
513 | append data1 $line |
---|
514 | incr serial |
---|
515 | } |
---|
516 | set data2 [$dev get components.molecule.pdb] |
---|
517 | if {"" != $data1} { |
---|
518 | _send "loadpdb -defer \"$data1\" $model $state" |
---|
519 | set _dataobjs($model-$state) 1 |
---|
520 | } |
---|
521 | if {"" != $data2} { |
---|
522 | _send "loadpdb -defer \"$data2\" $model $state" |
---|
523 | set _dataobjs($model-$state) 1 |
---|
524 | } |
---|
525 | } |
---|
526 | if { ![info exists _model($model-transparency)] } { |
---|
527 | set _model($model-transparency) "undefined" |
---|
528 | } |
---|
529 | if { ![info exists _model($model-representation)] } { |
---|
530 | set _model($model-representation) "undefined" |
---|
531 | set _model($model-newrepresentation) $_mrepresentation |
---|
532 | } |
---|
533 | if { $_model($model-transparency) != $_dobj2transparency($dev) } { |
---|
534 | set _model($model-newtransparency) $_dobj2transparency($dev) |
---|
535 | } |
---|
536 | } |
---|
537 | |
---|
538 | # enable/disable models as required (0=off->off, 1=on->off, 2=off->on, |
---|
539 | # 3=on->on) |
---|
540 | |
---|
541 | foreach obj [array names _mlist] { |
---|
542 | if { $_mlist($obj) == 1 } { |
---|
543 | _send "disable -defer $obj" |
---|
544 | set _mlist($obj) 0 |
---|
545 | set changed 1 |
---|
546 | } elseif { $_mlist($obj) == 2 } { |
---|
547 | set _mlist($obj) 1 |
---|
548 | _send "enable -defer $obj" |
---|
549 | if { $_labels } { |
---|
550 | _send "label -defer on" |
---|
551 | } else { |
---|
552 | _send "label -defer off" |
---|
553 | } |
---|
554 | set changed 1 |
---|
555 | } elseif { $_mlist($obj) == 3 } { |
---|
556 | set _mlist($obj) 1 |
---|
557 | } |
---|
558 | |
---|
559 | if { $_mlist($obj) == 1 } { |
---|
560 | if { [info exists _model($obj-newtransparency)] || |
---|
561 | [info exists _model($obj-newrepresentation)] } { |
---|
562 | if { ![info exists _model($obj-newrepresentation)] } { |
---|
563 | set _model($obj-newrepresentation) $_model($obj-representation) |
---|
564 | } |
---|
565 | if { ![info exists _model($obj-newtransparency)] } { |
---|
566 | set _model($obj-newtransparency) $_model($obj-transparency) |
---|
567 | } |
---|
568 | set rep $_model($obj-newrepresentation) |
---|
569 | set transp $_model($obj-newtransparency) |
---|
570 | _send "$_model($obj-newrepresentation) -defer -model $obj -$_model($obj-newtransparency)" |
---|
571 | set changed 1 |
---|
572 | set _model($obj-transparency) $_model($obj-newtransparency) |
---|
573 | set _model($obj-representation) $_model($obj-newrepresentation) |
---|
574 | catch { |
---|
575 | unset _model($obj-newtransparency) |
---|
576 | unset _model($obj-newrepresentation) |
---|
577 | } |
---|
578 | } |
---|
579 | } |
---|
580 | |
---|
581 | } |
---|
582 | if { $changed } { |
---|
583 | array unset _imagecache |
---|
584 | } |
---|
585 | if { $dlist == "" } { |
---|
586 | set _state(server) 1 |
---|
587 | set _state(client) 1 |
---|
588 | _send "frame -push 1" |
---|
589 | } elseif { ![info exists _imagecache($state,$_rocker(client))] } { |
---|
590 | set _state(server) $state |
---|
591 | set _state(client) $state |
---|
592 | _send "frame -push $state" |
---|
593 | } else { |
---|
594 | set _state(client) $state |
---|
595 | _update |
---|
596 | } |
---|
597 | set w [winfo width $itk_component(3dview)] |
---|
598 | set h [winfo height $itk_component(3dview)] |
---|
599 | _send "screen $w $h" |
---|
600 | |
---|
601 | set _inrebuild 0 |
---|
602 | $itk_component(3dview) configure -cursor "" |
---|
603 | } |
---|
604 | |
---|
605 | itcl::body Rappture::MolvisViewer::_unmap { } { |
---|
606 | #pause rocking loop while unmapped (saves CPU time) |
---|
607 | rock pause |
---|
608 | |
---|
609 | # Blank image, mark current image dirty |
---|
610 | # This will force reload from cache, or remain blank if cache is cleared |
---|
611 | # This prevents old image from briefly appearing when a new result is added |
---|
612 | # by result viewer |
---|
613 | |
---|
614 | #$_image(plot) blank |
---|
615 | set _image(id) "" |
---|
616 | } |
---|
617 | |
---|
618 | itcl::body Rappture::MolvisViewer::_map { } { |
---|
619 | if { [isconnected] } { |
---|
620 | # resume rocking loop if it was on |
---|
621 | rock unpause |
---|
622 | # rebuild image if modified, or redisplay cached image if not |
---|
623 | $_dispatcher event -idle !rebuild |
---|
624 | } |
---|
625 | } |
---|
626 | |
---|
627 | itcl::body Rappture::MolvisViewer::_configure { w h } { |
---|
628 | $_image(plot) configure -width $w -height $h |
---|
629 | # immediately invalidate cache, defer update until mapped |
---|
630 | array unset _imagecache |
---|
631 | if { [isconnected] } { |
---|
632 | if { [winfo ismapped $itk_component(3dview)] } { |
---|
633 | _send "screen $w $h" |
---|
634 | _send "reset -push" |
---|
635 | } else { |
---|
636 | _send "screen -defer $w $h" |
---|
637 | _send "reset -push" |
---|
638 | } |
---|
639 | } |
---|
640 | } |
---|
641 | |
---|
642 | # ---------------------------------------------------------------------- |
---|
643 | # USAGE: _zoom in |
---|
644 | # USAGE: _zoom out |
---|
645 | # USAGE: _zoom reset |
---|
646 | # |
---|
647 | # Called automatically when the user clicks on one of the zoom |
---|
648 | # controls for this widget. Changes the zoom for the current view. |
---|
649 | # ---------------------------------------------------------------------- |
---|
650 | itcl::body Rappture::MolvisViewer::_zoom {option} { |
---|
651 | switch -- $option { |
---|
652 | "in" { |
---|
653 | _send "zoom 10" |
---|
654 | } |
---|
655 | "out" { |
---|
656 | _send "zoom -10" |
---|
657 | } |
---|
658 | "reset" { |
---|
659 | _send "reset" |
---|
660 | } |
---|
661 | } |
---|
662 | } |
---|
663 | |
---|
664 | itcl::body Rappture::MolvisViewer::_update { args } { |
---|
665 | set tag "$_state(client),$_rocker(client)" |
---|
666 | if { $_image(id) != "$tag" } { |
---|
667 | if { [info exists _imagecache($tag)] } { |
---|
668 | #puts stderr "DISPLAYING CACHED IMAGE" |
---|
669 | $_image(plot) configure -data $_imagecache($tag) |
---|
670 | set _image(id) "$tag" |
---|
671 | } |
---|
672 | } |
---|
673 | } |
---|
674 | |
---|
675 | # ---------------------------------------------------------------------- |
---|
676 | # USAGE: rock on|off|toggle |
---|
677 | # USAGE: rock pause|unpause|step |
---|
678 | # |
---|
679 | # Used to control the "rocking" model for the molecule being displayed. |
---|
680 | # Clients should use only the on/off/toggle options; the rest are for |
---|
681 | # internal control of the rocking motion. |
---|
682 | # ---------------------------------------------------------------------- |
---|
683 | itcl::body Rappture::MolvisViewer::rock { option } { |
---|
684 | # cancel any pending rocks |
---|
685 | if { [info exists _rocker(afterid)] } { |
---|
686 | after cancel $_rocker(afterid) |
---|
687 | unset _rocker(afterid) |
---|
688 | } |
---|
689 | |
---|
690 | if { $option == "toggle" } { |
---|
691 | if { $_rocker(on) } { |
---|
692 | set option "off" |
---|
693 | } else { |
---|
694 | set option "on" |
---|
695 | } |
---|
696 | } |
---|
697 | if { $option == "on" || ($option == "toggle" && !$_rocker(on)) } { |
---|
698 | set _rocker(on) 1 |
---|
699 | set _settings($this-rock) 1 |
---|
700 | $itk_component(rock) configure -relief sunken |
---|
701 | } elseif { $option == "off" || ($option == "toggle" && $_rocker(on)) } { |
---|
702 | set _rocker(on) 0 |
---|
703 | set _settings($this-rock) 0 |
---|
704 | $itk_component(rock) configure -relief raised |
---|
705 | } elseif { $option == "step"} { |
---|
706 | if { $_rocker(client) >= 10 } { |
---|
707 | set _rocker(dir) -1 |
---|
708 | } elseif { $_rocker(client) <= -10 } { |
---|
709 | set _rocker(dir) 1 |
---|
710 | } |
---|
711 | set _rocker(client) [expr {$_rocker(client) + $_rocker(dir)}] |
---|
712 | if { ![info exists _imagecache($_state(server),$_rocker(client))] } { |
---|
713 | set _rocker(server) $_rocker(client) |
---|
714 | _send "rock $_rocker(client)" |
---|
715 | } |
---|
716 | _update |
---|
717 | } |
---|
718 | if { $_rocker(on) && $option != "pause" } { |
---|
719 | set _rocker(afterid) [after 200 [itcl::code $this rock step]] |
---|
720 | } |
---|
721 | } |
---|
722 | |
---|
723 | itcl::body Rappture::MolvisViewer::_vmouse2 {option b m x y} { |
---|
724 | set now [clock clicks -milliseconds] |
---|
725 | set vButton [expr $b - 1] |
---|
726 | set vModifier 0 |
---|
727 | set vState 1 |
---|
728 | |
---|
729 | if { $m & 1 } { set vModifier [expr $vModifier | 1 ] } |
---|
730 | if { $m & 4 } { set vModifier [expr $vModifier | 2 ] } |
---|
731 | if { $m & 131072 } { set vModifier [expr $vModifier | 4 ] } |
---|
732 | |
---|
733 | if { $option == "click" } { set vState 0 } |
---|
734 | if { $option == "release" } { set vState 1 } |
---|
735 | if { $option == "drag" } { set vState 2 } |
---|
736 | if { $option == "move" } { set vState 3 } |
---|
737 | |
---|
738 | if { $vState == 2 || $vState == 3} { |
---|
739 | set diff 0 |
---|
740 | |
---|
741 | catch { set diff [expr $now - $_mevent(time)] } |
---|
742 | if {$diff < 75} { # 75ms between motion updates |
---|
743 | return |
---|
744 | } |
---|
745 | } |
---|
746 | _send "vmouse $vButton $vModifier $vState $x $y" |
---|
747 | set _mevent(time) $now |
---|
748 | } |
---|
749 | |
---|
750 | itcl::body Rappture::MolvisViewer::_vmouse {option b m x y} { |
---|
751 | set now [clock clicks -milliseconds] |
---|
752 | # cancel any pending delayed dragging events |
---|
753 | if { [info exists _mevent(afterid)] } { |
---|
754 | after cancel $_mevent(afterid) |
---|
755 | unset _mevent(afterid) |
---|
756 | } |
---|
757 | |
---|
758 | if { ![info exists _mevent(x)] } { |
---|
759 | set option "click" |
---|
760 | } |
---|
761 | if { $option == "click" } { |
---|
762 | $itk_component(3dview) configure -cursor fleur |
---|
763 | } |
---|
764 | if { $option == "drag" || $option == "release" } { |
---|
765 | set diff 0 |
---|
766 | catch { set diff [expr $now - $_mevent(time) ] } |
---|
767 | if {$diff < 75 && $option == "drag" } { # 75ms between motion updates |
---|
768 | set _mevent(afterid) [after [expr 75 - $diff] [itcl::code $this _vmouse drag $b $m $x $y]] |
---|
769 | return |
---|
770 | } |
---|
771 | set w [winfo width $itk_component(3dview)] |
---|
772 | set h [winfo height $itk_component(3dview)] |
---|
773 | if {$w <= 0 || $h <= 0} { |
---|
774 | return |
---|
775 | } |
---|
776 | set x1 [expr $w / 3] |
---|
777 | set x2 [expr $x1 * 2] |
---|
778 | set y1 [expr $h / 3] |
---|
779 | set y2 [expr $y1 * 2] |
---|
780 | set dx [expr $x - $_mevent(x)] |
---|
781 | set dy [expr $y - $_mevent(y)] |
---|
782 | set mx 0 |
---|
783 | set my 0 |
---|
784 | set mz 0 |
---|
785 | |
---|
786 | if { $_mevent(x) < $x1 } { |
---|
787 | set mz $dy |
---|
788 | } elseif { $_mevent(x) < $x2 } { |
---|
789 | set mx $dy |
---|
790 | } else { |
---|
791 | set mz [expr -$dy] |
---|
792 | } |
---|
793 | |
---|
794 | if { $_mevent(y) < $y1 } { |
---|
795 | set mz [expr -$dx] |
---|
796 | } elseif { $_mevent(y) < $y2 } { |
---|
797 | set my $dx |
---|
798 | } else { |
---|
799 | set mz $dx |
---|
800 | } |
---|
801 | _send "rotate $mx $my $mz" |
---|
802 | } |
---|
803 | set _mevent(x) $x |
---|
804 | set _mevent(y) $y |
---|
805 | set _mevent(time) $now |
---|
806 | if { $option == "release" } { |
---|
807 | $itk_component(3dview) configure -cursor "" |
---|
808 | } |
---|
809 | } |
---|
810 | |
---|
811 | # ---------------------------------------------------------------------- |
---|
812 | # USAGE: representation spheres |
---|
813 | # USAGE: representation ballnstick |
---|
814 | # USAGE: representation lines |
---|
815 | # |
---|
816 | # Used internally to change the molecular representation used to render |
---|
817 | # our scene. |
---|
818 | # ---------------------------------------------------------------------- |
---|
819 | itcl::body Rappture::MolvisViewer::representation {option {model "all"} } { |
---|
820 | if { $option == $_mrepresentation } { |
---|
821 | return |
---|
822 | } |
---|
823 | set _settings($this-modelimg) [Rappture::icon $option] |
---|
824 | set inner [$itk_component(controls).panel component inner] |
---|
825 | $inner.model.pict configure -image $_settings($this-modelimg) |
---|
826 | |
---|
827 | # Save the current option to set all radiobuttons -- just in case. |
---|
828 | # This method gets called without the user clicking on a radiobutton. |
---|
829 | set _settings($this-model) $option |
---|
830 | set _mrepresentation $option |
---|
831 | |
---|
832 | if { $model == "all" } { |
---|
833 | set models [array names _mlist] |
---|
834 | } else { |
---|
835 | set models $model |
---|
836 | } |
---|
837 | foreach obj $models { |
---|
838 | if { [info exists _model($obj-representation)] } { |
---|
839 | if { $_model($obj-representation) != $option } { |
---|
840 | set _model($obj-newrepresentation) $option |
---|
841 | } else { |
---|
842 | catch { unset _model($obj-newrepresentation) } |
---|
843 | } |
---|
844 | } |
---|
845 | } |
---|
846 | if { [isconnected] } { |
---|
847 | $_dispatcher event -idle !rebuild |
---|
848 | } |
---|
849 | } |
---|
850 | |
---|
851 | # ---------------------------------------------------------------------- |
---|
852 | # USAGE: emblems on|off|toggle |
---|
853 | # USAGE: emblems update |
---|
854 | # |
---|
855 | # Used internally to turn labels associated with atoms on/off, and to |
---|
856 | # update the positions of the labels so they sit on top of each atom. |
---|
857 | # ---------------------------------------------------------------------- |
---|
858 | itcl::body Rappture::MolvisViewer::emblems {option} { |
---|
859 | switch -- $option { |
---|
860 | on { |
---|
861 | set emblem 1 |
---|
862 | } |
---|
863 | off { |
---|
864 | set emblem 0 |
---|
865 | } |
---|
866 | toggle { |
---|
867 | if {$_settings($this-emblems)} { |
---|
868 | set emblem 0 |
---|
869 | } else { |
---|
870 | set emblem 1 |
---|
871 | } |
---|
872 | } |
---|
873 | update { |
---|
874 | set emblem $_settings($this-emblems) |
---|
875 | } |
---|
876 | default { |
---|
877 | error "bad option \"$option\": should be on, off, toggle, or update" |
---|
878 | } |
---|
879 | } |
---|
880 | set _labels $emblem |
---|
881 | if {$emblem == $_settings($this-emblems) && $option != "update"} { |
---|
882 | # nothing to do |
---|
883 | return |
---|
884 | } |
---|
885 | |
---|
886 | if {$emblem} { |
---|
887 | $itk_component(labels) configure -relief sunken |
---|
888 | set _settings($this-emblems) 1 |
---|
889 | _send "label on" |
---|
890 | } else { |
---|
891 | $itk_component(labels) configure -relief raised |
---|
892 | set _settings($this-emblems) 0 |
---|
893 | _send "label off" |
---|
894 | } |
---|
895 | } |
---|
896 | |
---|
897 | # ---------------------------------------------------------------------- |
---|
898 | # USAGE: add <dataobj> ?<settings>? |
---|
899 | # |
---|
900 | # Clients use this to add a data object to the plot. The optional |
---|
901 | # <settings> are used to configure the plot. Allowed settings are |
---|
902 | # -color, -brightness, -width, -linestyle, and -raise. Only |
---|
903 | # -brightness and -raise do anything. |
---|
904 | # ---------------------------------------------------------------------- |
---|
905 | itcl::body Rappture::MolvisViewer::add { dataobj {options ""}} { |
---|
906 | array set params { |
---|
907 | -color auto |
---|
908 | -brightness 0 |
---|
909 | -width 1 |
---|
910 | -raise 0 |
---|
911 | -linestyle solid |
---|
912 | -description "" |
---|
913 | -param "" |
---|
914 | } |
---|
915 | |
---|
916 | foreach {opt val} $options { |
---|
917 | if {![info exists params($opt)]} { |
---|
918 | error "bad settings \"$opt\": should be [join [lsort [array names params]] {, }]" |
---|
919 | } |
---|
920 | set params($opt) $val |
---|
921 | } |
---|
922 | |
---|
923 | set pos [lsearch -exact $dataobj $_dlist] |
---|
924 | |
---|
925 | if {$pos < 0} { |
---|
926 | if {![Rappture::library isvalid $dataobj]} { |
---|
927 | error "bad value \"$dataobj\": should be Rappture::library object" |
---|
928 | } |
---|
929 | |
---|
930 | if { $_labels == "default" } { |
---|
931 | set emblem [$dataobj get components.molecule.about.emblems] |
---|
932 | |
---|
933 | if {$emblem == "" || ![string is boolean $emblem] || !$emblem} { |
---|
934 | emblems off |
---|
935 | } else { |
---|
936 | emblems on |
---|
937 | } |
---|
938 | } |
---|
939 | |
---|
940 | lappend _dlist $dataobj |
---|
941 | if { $params(-brightness) >= 0.5 } { |
---|
942 | set _dobj2transparency($dataobj) "ghost" |
---|
943 | } else { |
---|
944 | set _dobj2transparency($dataobj) "normal" |
---|
945 | } |
---|
946 | set _dobj2raise($dataobj) $params(-raise) |
---|
947 | |
---|
948 | if { [isconnected] } { |
---|
949 | $_dispatcher event -idle !rebuild |
---|
950 | } |
---|
951 | } |
---|
952 | } |
---|
953 | |
---|
954 | # ---------------------------------------------------------------------- |
---|
955 | # USAGE: get |
---|
956 | # |
---|
957 | # Clients use this to query the list of objects being plotted, in |
---|
958 | # order from bottom to top of this result. |
---|
959 | # ---------------------------------------------------------------------- |
---|
960 | itcl::body Rappture::MolvisViewer::get {} { |
---|
961 | # put the dataobj list in order according to -raise options |
---|
962 | set dlist $_dlist |
---|
963 | foreach obj $dlist { |
---|
964 | if {[info exists _dobj2raise($obj)] && $_dobj2raise($obj)} { |
---|
965 | set i [lsearch -exact $dlist $obj] |
---|
966 | if {$i >= 0} { |
---|
967 | set dlist [lreplace $dlist $i $i] |
---|
968 | lappend dlist $obj |
---|
969 | } |
---|
970 | } |
---|
971 | } |
---|
972 | return $dlist |
---|
973 | } |
---|
974 | |
---|
975 | # ---------------------------------------------------------------------- |
---|
976 | # USAGE: delete ?<dataobj> <dataobj> ...? |
---|
977 | # |
---|
978 | # Clients use this to delete a dataobj from the plot. If no dataobjs |
---|
979 | # are specified, then all dataobjs are deleted. |
---|
980 | # ---------------------------------------------------------------------- |
---|
981 | itcl::body Rappture::MolvisViewer::delete {args} { |
---|
982 | if {[llength $args] == 0} { |
---|
983 | set args $_dlist |
---|
984 | } |
---|
985 | |
---|
986 | # delete all specified dataobjs |
---|
987 | set changed 0 |
---|
988 | foreach dataobj $args { |
---|
989 | set pos [lsearch -exact $_dlist $dataobj] |
---|
990 | if {$pos >= 0} { |
---|
991 | set _dlist [lreplace $_dlist $pos $pos] |
---|
992 | catch {unset _dobj2transparency($dataobj)} |
---|
993 | catch {unset _dobj2color($dataobj)} |
---|
994 | catch {unset _dobj2width($dataobj)} |
---|
995 | catch {unset _dobj2dashes($dataobj)} |
---|
996 | catch {unset _dobj2raise($dataobj)} |
---|
997 | set changed 1 |
---|
998 | } |
---|
999 | } |
---|
1000 | |
---|
1001 | # if anything changed, then rebuild the plot |
---|
1002 | if {$changed} { |
---|
1003 | if { [isconnected] } { |
---|
1004 | $_dispatcher event -idle !rebuild |
---|
1005 | } |
---|
1006 | } |
---|
1007 | } |
---|
1008 | |
---|
1009 | # ---------------------------------------------------------------------- |
---|
1010 | # OPTION: -device |
---|
1011 | # ---------------------------------------------------------------------- |
---|
1012 | itcl::configbody Rappture::MolvisViewer::device { |
---|
1013 | if {$itk_option(-device) != "" } { |
---|
1014 | |
---|
1015 | if {![Rappture::library isvalid $itk_option(-device)]} { |
---|
1016 | error "bad value \"$itk_option(-device)\": should be Rappture::library object" |
---|
1017 | } |
---|
1018 | $this delete |
---|
1019 | $this add $itk_option(-device) |
---|
1020 | } else { |
---|
1021 | $this delete |
---|
1022 | } |
---|
1023 | |
---|
1024 | if { [isconnected] } { |
---|
1025 | $_dispatcher event -idle !rebuild |
---|
1026 | } |
---|
1027 | } |
---|