| 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 | vmdinfo
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| 76 | vmdbench
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| 77 | color
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| 78 | axes
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| 79 | imd
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| 80 | vmdcollab
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| 81 | vmd_label
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| 82 | light
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| 83 | material
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| 84 | vmd_menu
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| 85 | stage
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| 86 | light
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| 87 | user
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| 88 | mol
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| 89 | molinfo
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| 90 | molecule
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| 91 | mouse
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| 92 | mobile
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| 93 | spaceball
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| 94 | plugin
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| 95 | render
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| 96 | tkrender
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| 97 | rotate
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| 98 | rotmat
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| 99 | vmd_scale
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| 100 | translate
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| 101 | sleep
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| 102 | tool
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| 103 | measure
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| 104 | rawtimestep
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| 105 | gettimestep
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| 106 | vmdcon
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| 107 | volmap
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| 108 | parallel
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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: resize <w> <h>
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| 151 | #
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| 152 | # Resizes the visualization window to the given width <w> and height
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| 153 | # <h>. The next image sent should be this size.
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| 154 | # ----------------------------------------------------------------------
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| 155 | proc cmd_resize {w h} {
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| 156 | global DisplayProps
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| 157 |
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| 158 | # store the desired size in case we downscale
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| 159 | set DisplayProps(framew) $w
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| 160 | set DisplayProps(frameh) $h
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| 161 |
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| 162 | server_safe_resize $w $h
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| 163 | }
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| 164 | $parser alias resize cmd_resize
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| 165 |
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| 166 | # ----------------------------------------------------------------------
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| 167 | # USAGE: setview ?-rotate <mtx>? ?-scale <mtx>? ?-center <mtx>? ?-global <mtx>?
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| 168 | #
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| 169 | # Sets the view matrix for one or more components of the view. This
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| 170 | # is a convenient way of getting a view for a particular frame just
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| 171 | # right in one shot.
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| 172 | # ----------------------------------------------------------------------
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| 173 | proc cmd_setview {args} {
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| 174 | if {[llength $args] == 8} {
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| 175 | # setting all matrices? then start clean
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| 176 | display resetview
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| 177 | }
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| 178 | foreach {key val} $args {
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| 179 | switch -- $key {
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| 180 | -rotate {
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| 181 | molinfo top set rotate_matrix [list $val]
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| 182 | }
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| 183 | -scale {
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| 184 | molinfo top set scale_matrix [list $val]
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| 185 | }
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| 186 | -center {
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| 187 | molinfo top set center_matrix [list $val]
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| 188 | }
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| 189 | -global {
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| 190 | molinfo top set global_matrix [list $val]
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| 191 | }
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| 192 | default {
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| 193 | error "bad option \"$key\": should be -rotate, -scale, -center, or -global"
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| 194 | }
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| 195 | }
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| 196 | }
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| 197 | }
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| 198 | $parser alias setview cmd_setview
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| 199 |
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| 200 | # ----------------------------------------------------------------------
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| 201 | # USAGE: drag start|end
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| 202 | #
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| 203 | # Resizes the visualization window to the given width <w> and height
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| 204 | # <h>. The next image sent should be this size.
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| 205 | # ----------------------------------------------------------------------
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| 206 | proc cmd_drag {action} {
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| 207 | global DisplayProps
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| 208 |
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| 209 | switch -- $action {
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| 210 | start {
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| 211 | # simplify rendering so it goes faster during drag operations
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| 212 | set neww [expr {round($DisplayProps(framew)/2.0)}]
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| 213 | set newh [expr {round($DisplayProps(frameh)/2.0)}]
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| 214 | server_safe_resize $neww $newh
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| 215 | display rendermode Normal
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| 216 | display shadows off
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| 217 |
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| 218 | foreach nmol [molinfo list] {
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| 219 | set max [molinfo $nmol get numreps]
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| 220 | for {set nrep 0} {$nrep < $max} {incr nrep} {
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| 221 | mol modstyle $nrep $nmol "Lines"
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| 222 | }
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| 223 | }
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| 224 | }
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| 225 | end {
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| 226 | # put original rendering options back
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| 227 | server_safe_resize $DisplayProps(framew) $DisplayProps(frameh)
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| 228 | display rendermode $DisplayProps(rendermode)
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| 229 | display shadows $DisplayProps(shadows)
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| 230 |
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| 231 | # restore rendering methods for all representations
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| 232 | foreach nmol [molinfo list] {
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| 233 | set max [molinfo $nmol get numreps]
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| 234 | for {set nrep 0} {$nrep < $max} {incr nrep} {
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| 235 | mol modstyle $nrep $nmol $DisplayProps(rep-$nmol-$nrep)
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| 236 | }
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| 237 | }
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| 238 | }
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| 239 | default {
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| 240 | error "bad option \"$action\": should be start or end"
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| 241 | }
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| 242 | }
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| 243 | }
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| 244 | $parser alias drag cmd_drag
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| 245 |
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| 246 | # ----------------------------------------------------------------------
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| 247 | # USAGE: smoothreps <value>
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| 248 | #
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| 249 | # Changes the smoothing factor for all representations of the current
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| 250 | # molecule.
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| 251 | # ----------------------------------------------------------------------
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| 252 | proc cmd_smoothreps {val} {
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| 253 | if {$val < 0} {
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| 254 | error "bad smoothing value \"$val\": should be >= 0"
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| 255 | }
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| 256 | foreach nmol [molinfo list] {
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| 257 | set max [molinfo $nmol get numreps]
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| 258 | for {set nrep 0} {$nrep < $max} {incr nrep} {
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| 259 | mol smoothrep $nmol $nrep $val
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| 260 | }
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| 261 | }
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| 262 | }
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| 263 | $parser alias smoothreps cmd_smoothreps
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| 264 |
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| 265 | # ----------------------------------------------------------------------
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| 266 | # USAGE: animate <option> <args>...
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| 267 | # USAGE: rock off
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| 268 | # USAGE: rock x|y|z by <step> ?<n>?
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| 269 | #
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| 270 | # The usual VMD "animate" and "rock" commands are problematic for this
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| 271 | # server. If we're going to rock or play the animation, the client
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| 272 | # will do it. Intercept any "animate" and "rock" commands in the scene
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| 273 | # scripts and do nothing.
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| 274 | # ----------------------------------------------------------------------
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| 275 | proc cmd_animate {args} {
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| 276 | # do nothing
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| 277 | }
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| 278 | $parser alias animate cmd_animate
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| 279 |
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| 280 | proc cmd_rock {args} {
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| 281 | # do nothing
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| 282 | }
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| 283 | $parser alias rock cmd_rock
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| 284 |
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| 285 | # ----------------------------------------------------------------------
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| 286 | # USAGE: load <file> <file>...
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| 287 | #
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| 288 | # Loads the molecule data from one or more files, which may be PDB,
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| 289 | # DCD, PSF, etc.
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| 290 | # ----------------------------------------------------------------------
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| 291 | proc cmd_load {args} {
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| 292 | # clear all existing molecules
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| 293 | foreach nmol [molinfo list] {
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| 294 | mol delete $nmol
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| 295 | }
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| 296 |
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| 297 | # load new files
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| 298 | set op "new"
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| 299 | foreach file $args {
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| 300 | mol $op $file waitfor all
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| 301 | set op "addfile"
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| 302 | }
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| 303 |
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| 304 | # BE CAREFUL -- force a "display update" here
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| 305 | # that triggers something in VMD that changes view matrices now,
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| 306 | # so if we change them later, the new values stick
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| 307 | display update
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| 308 | }
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| 309 | $parser alias load cmd_load
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| 310 |
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| 311 | # ----------------------------------------------------------------------
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| 312 | # USAGE: scene define <name> <script>
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| 313 | # USAGE: scene show <name> ?-before <viewCmd>? ?-after <viewCmd>?
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| 314 | # USAGE: scene clear
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| 315 | # USAGE: scene forget ?<name> <name>...?
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| 316 | #
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| 317 | # Used to define and manipulate scenes of the trajectory information
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| 318 | # loaded previously by the "load" command. The "define" operation
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| 319 | # defines the script that loads a scene called <name>. The "show"
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| 320 | # operation executes that script to show the scene. The "clear"
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| 321 | # operation clears the current scene (usually in preparation for
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| 322 | # showing another scene). The "forget" operation erases one or more
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| 323 | # scene definitions; if no names are specified, then all scenes are
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| 324 | # forgotten.
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| 325 | # ----------------------------------------------------------------------
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| 326 | proc cmd_scene {option args} {
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| 327 | global Scenes Views DisplayProps parser
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| 328 |
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| 329 | switch -- $option {
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| 330 | define {
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| 331 | if {[llength $args] != 2} {
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| 332 | error "wrong # args: should be \"scene define name script\""
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| 333 | }
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| 334 | set name [lindex $args 0]
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| 335 | set script [lindex $args 1]
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| 336 | set Scenes($name) $script
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| 337 | }
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| 338 | show {
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| 339 | if {[llength $args] < 1 || [llength $args] > 5} {
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| 340 | error "wrong # args: should be \"scene show name ?-before cmd? ?-after cmd?\""
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| 341 | }
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| 342 | set name [lindex $args 0]
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| 343 | if {![info exists Scenes($name)]} {
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| 344 | error "bad scene name \"$name\": should be one of [join [array names Scenes] {, }]"
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| 345 | }
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| 346 |
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| 347 | set triggers(before) ""
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| 348 | set triggers(after) ""
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| 349 | foreach {key val} [lrange $args 1 end] {
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| 350 | switch -- $key {
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| 351 | -before { set triggers(before) $val }
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| 352 | -after { set triggers(after) $val }
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| 353 | default { error "bad option \"$key\": should be -before, -after" }
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| 354 | }
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| 355 | }
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| 356 |
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| 357 | # if -before arg was given, send back the view right now
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| 358 | if {$triggers(before) ne "" && $Scenes(@CURRENT) ne ""} {
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| 359 | cmd_tellme $triggers(before) getview
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| 360 | }
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| 361 |
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| 362 | # clear the old scene
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| 363 | cmd_scene clear
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| 364 | display resetview
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| 365 |
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| 366 | # use a safe interp to keep things safe
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| 367 | foreach val [$parser eval {info vars}] {
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| 368 | # clear all variables created by previous scripts
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| 369 | $parser eval [list catch [list unset $val]]
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| 370 | }
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| 371 | if {[catch {$parser eval $Scenes($name)} result]} {
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| 372 | error "$result\nwhile loading scene \"$name\""
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| 373 | }
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| 374 |
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| 375 | # capture display characteristics in case we ever need to reset
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| 376 | set DisplayProps(rendermode) [display get rendermode]
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| 377 | set DisplayProps(shadows) [display get shadows]
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| 378 |
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| 379 | foreach nmol [molinfo list] {
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| 380 | set max [molinfo $nmol get numreps]
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| 381 | for {set nrep 0} {$nrep < $max} {incr nrep} {
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| 382 | set style [lindex [molinfo $nmol get "{rep $nrep}"] 0]
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| 383 | set DisplayProps(rep-$nmol-$nrep) $style
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| 384 | }
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| 385 | }
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| 386 |
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| 387 | # store the scene name for later
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| 388 | set Scenes(@CURRENT) $name
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| 389 |
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| 390 | # if -after arg was given, send back the view after the script
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| 391 | if {$triggers(after) ne ""} {
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| 392 | cmd_tellme $triggers(after) getview
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| 393 | }
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| 394 | }
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| 395 | clear {
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| 396 | foreach mol [molinfo list] {
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| 397 | set numOfRep [lindex [mol list $mol] 12]
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| 398 | for {set i 1} {$i <= $numOfRep} {incr i} {
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| 399 | mol delrep 0 $mol
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| 400 | }
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| 401 | }
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| 402 | set Scenes(@CURRENT) ""
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| 403 | catch {unset Views}
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| 404 |
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| 405 | # reset the server properties
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| 406 | axes location off
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| 407 | color Display Background black
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| 408 | eval $DisplayProps(options)
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| 409 | }
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| 410 | forget {
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| 411 | if {[llength $args] == 0} {
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| 412 | set args [array names Scenes]
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| 413 | }
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| 414 | foreach name $args {
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| 415 | if {$name eq "@CURRENT"} continue
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| 416 | catch {unset Scenes($name)}
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| 417 | if {$name eq $Scenes(@CURRENT)} {
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| 418 | set Scenes(@CURRENT) ""
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| 419 | }
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| 420 | }
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| 421 | }
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| 422 | default {
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| 423 | error "bad option \"$option\": should be define, show, clear, forget"
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| 424 | }
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| 425 | }
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| 426 | }
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| 427 | $parser alias scene cmd_scene
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| 428 |
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| 429 | # ----------------------------------------------------------------------
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| 430 | # USAGE: frames defview <frame> {matrixNames...} {matrixValues...}
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| 431 | # USAGE: frames time <epochValue> <start> ?<finish>? ?<inc>? ?-defview?
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| 432 | # USAGE: frames rotate <epochValue> <xa> <ya> <za> <number>
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| 433 | # USAGE: frames max
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| 434 | #
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| 435 | # Used to request one or more frames for an animation. A "time"
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| 436 | # animation is a series of frames between two time points. A "rotate"
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| 437 | # animation is a series of frames that rotate the view 360 degrees.
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| 438 | #
|
|---|
| 439 | # The <epochValue> is passed by the client to indicate the relevance of
|
|---|
| 440 | # the request. Whenever the client enters a new epoch, it is no longer
|
|---|
| 441 | # concerned with any earlier epochs, so the server can ignore pending
|
|---|
| 442 | # images that are out of date. The server sends back the epoch with
|
|---|
| 443 | # all frames so the client can understand if the frames are relevant.
|
|---|
| 444 | #
|
|---|
| 445 | # The "defview" operation sets the default view associated with each
|
|---|
| 446 | # frame. Animation scripts can change the default view to a series of
|
|---|
| 447 | # fly-through views. This operation provides a way of storing those
|
|---|
| 448 | # views.
|
|---|
| 449 | #
|
|---|
| 450 | # For a "time" animation, the <start> is a number of a requested frame.
|
|---|
| 451 | # The <finish> is the last frame in the series. The <inc> is the step
|
|---|
| 452 | # by which the frames should be generated, which may be larger than 1.
|
|---|
| 453 | #
|
|---|
| 454 | # For a "rotate" animation, the <xa>,<ya>,<za> angles indicate the
|
|---|
| 455 | # direction of the rotation. The <number> is the number of frames
|
|---|
| 456 | # requested for a full 360 degree rotation.
|
|---|
| 457 | #
|
|---|
| 458 | # The "frames max" query returns the maximum number of frames in the
|
|---|
| 459 | # trajectory. The server uses this to figure out the limits of
|
|---|
| 460 | # animation.
|
|---|
| 461 | # ----------------------------------------------------------------------
|
|---|
| 462 | proc cmd_frames {what args} {
|
|---|
| 463 | global client Epoch Work Views
|
|---|
| 464 |
|
|---|
| 465 | # check incoming parameters
|
|---|
| 466 | switch -- $what {
|
|---|
| 467 | time {
|
|---|
| 468 | set epochValue [lindex $args 0]
|
|---|
| 469 | set start [lindex $args 1]
|
|---|
| 470 |
|
|---|
| 471 | set i [lsearch $args -defview]
|
|---|
| 472 | if {$i >= 0} {
|
|---|
| 473 | set defview 1
|
|---|
| 474 | set args [lreplace $args $i $i]
|
|---|
| 475 | } else {
|
|---|
| 476 | set defview 0
|
|---|
| 477 | }
|
|---|
| 478 |
|
|---|
| 479 | set finish [lindex $args 2]
|
|---|
| 480 | if {$finish eq ""} { set finish $start }
|
|---|
| 481 | set inc [lindex $args 3]
|
|---|
| 482 | if {$inc eq ""} { set inc 1 }
|
|---|
| 483 |
|
|---|
| 484 | if {![string is integer $finish]} {
|
|---|
| 485 | server_oops $client "bad animation end \"$finish\" should be integer"
|
|---|
| 486 | return
|
|---|
| 487 | }
|
|---|
| 488 | if {![string is integer $inc] || $inc == 0} {
|
|---|
| 489 | server_oops $client "bad animation inc \"$inc\" should be non-zero integer"
|
|---|
| 490 | return
|
|---|
| 491 | }
|
|---|
| 492 | if {($finish < $start && $inc > 0) || ($finish > $start && $inc < 0)} {
|
|---|
| 493 | server_oops $client "bad animation limits: from $start to $finish by $inc"
|
|---|
| 494 | }
|
|---|
| 495 |
|
|---|
| 496 | # new epoch? then clean out work queue
|
|---|
| 497 | if {$epochValue > $Epoch} {
|
|---|
| 498 | catch {unset Work}
|
|---|
| 499 | set Work(queue) ""
|
|---|
| 500 | set Epoch $epochValue
|
|---|
| 501 | }
|
|---|
| 502 |
|
|---|
| 503 | # add these frames to the queue
|
|---|
| 504 | if {$inc > 0} {
|
|---|
| 505 | # generate frames in play>> direction
|
|---|
| 506 | for {set n $start} {$n <= $finish} {incr n $inc} {
|
|---|
| 507 | if {![info exists Work($n)]} {
|
|---|
| 508 | lappend Work(queue) [list epoch $epochValue frame $n num $n defview $defview]
|
|---|
| 509 | set Work($n) 1
|
|---|
| 510 | }
|
|---|
| 511 | }
|
|---|
| 512 | } else {
|
|---|
| 513 | # generate frames in <<play direction
|
|---|
| 514 | for {set n $start} {$n >= $finish} {incr n $inc} {
|
|---|
| 515 | if {![info exists Work($n)]} {
|
|---|
| 516 | lappend Work(queue) [list epoch $epochValue frame $n num $n defview $defview]
|
|---|
| 517 | set Work($n) 1
|
|---|
| 518 | }
|
|---|
| 519 | }
|
|---|
| 520 | }
|
|---|
| 521 | }
|
|---|
| 522 | rotate {
|
|---|
| 523 | set epochValue [lindex $args 0]
|
|---|
| 524 | set mx [lindex $args 1]
|
|---|
| 525 | if {![string is double -strict $mx]} {
|
|---|
| 526 | server_oops $client "bad mx rotation value \"$mx\" should be double"
|
|---|
| 527 | return
|
|---|
| 528 | }
|
|---|
| 529 | set my [lindex $args 2]
|
|---|
| 530 | if {![string is double -strict $my]} {
|
|---|
| 531 | server_oops $client "bad my rotation value \"$my\" should be double"
|
|---|
| 532 | return
|
|---|
| 533 | }
|
|---|
| 534 | set mz [lindex $args 3]
|
|---|
| 535 | if {![string is double -strict $mz]} {
|
|---|
| 536 | server_oops $client "bad mz rotation value \"$mz\" should be double"
|
|---|
| 537 | return
|
|---|
| 538 | }
|
|---|
| 539 | set num [lindex $args 4]
|
|---|
| 540 | if {![string is integer -strict $num] || $num < 2} {
|
|---|
| 541 | server_oops $client "bad number of rotation frames \"$num\" should be integer > 1"
|
|---|
| 542 | return
|
|---|
| 543 | }
|
|---|
| 544 |
|
|---|
| 545 | #
|
|---|
| 546 | # Compute the rotation matrix for each rotated view.
|
|---|
| 547 | # Start with the current rotation matrix. Rotate that around
|
|---|
| 548 | # a vector perpendicular to the plane of rotation for the given
|
|---|
| 549 | # angles (mx,my,mz). Find vector that by rotating some vector
|
|---|
| 550 | # such as (1,1,1) by the angles (mx,my,mz). Do a couple of
|
|---|
| 551 | # times and compute the differences between those vectors.
|
|---|
| 552 | # Then, compute the cross product of the differences. The
|
|---|
| 553 | # result is the axis of rotation.
|
|---|
| 554 | #
|
|---|
| 555 | set lastrotx [trans axis x $mx deg]
|
|---|
| 556 | set lastroty [trans axis y $my deg]
|
|---|
| 557 | set lastrotz [trans axis z $mz deg]
|
|---|
| 558 | set lastrot [transmult $lastrotx $lastroty $lastrotz]
|
|---|
| 559 |
|
|---|
| 560 | set lastvec [list 1 1 1]
|
|---|
| 561 | foreach v {1 2} {
|
|---|
| 562 | foreach row $lastrot comp {x y z w} {
|
|---|
| 563 | # multiply each row by last vector
|
|---|
| 564 | set vec($comp) 0
|
|---|
| 565 | for {set i 0} {$i < 3} {incr i} {
|
|---|
| 566 | set vec($comp) [expr {$vec($comp) + [lindex $row $i]}]
|
|---|
| 567 | }
|
|---|
| 568 | }
|
|---|
| 569 | set vec${v}(x) [expr {$vec(x)-[lindex $lastvec 0]}]
|
|---|
| 570 | set vec${v}(y) [expr {$vec(y)-[lindex $lastvec 1]}]
|
|---|
| 571 | set vec${v}(z) [expr {$vec(z)-[lindex $lastvec 2]}]
|
|---|
| 572 |
|
|---|
| 573 | set lastvec [list $vec(x) $vec(y) $vec(z)]
|
|---|
| 574 | set lastrot [transmult $lastrot $lastrotx $lastroty $lastrotz]
|
|---|
| 575 | }
|
|---|
| 576 |
|
|---|
| 577 | set crx [expr {$vec1(y)*$vec2(z)-$vec1(z)*$vec2(y)}]
|
|---|
| 578 | set cry [expr {$vec1(z)*$vec2(x)-$vec1(x)*$vec2(z)}]
|
|---|
| 579 | set crz [expr {$vec1(x)*$vec2(y)-$vec1(y)*$vec2(x)}]
|
|---|
| 580 |
|
|---|
| 581 | set angle [expr {360.0/$num}]
|
|---|
| 582 | set rotby [transabout [list $crx $cry $crz] $angle deg]
|
|---|
| 583 | set rotm [lindex [molinfo top get rotate_matrix] 0]
|
|---|
| 584 |
|
|---|
| 585 | # compute cross product of (1,1,1,0) and rotated vector from above
|
|---|
| 586 |
|
|---|
| 587 | for {set n 0} {$n < $num} {incr n} {
|
|---|
| 588 | lappend Work(queue) [list epoch $epochValue rotate $rotm num $n defview 0]
|
|---|
| 589 | set rotm [transmult $rotby $rotm]
|
|---|
| 590 | set Work($n) 1
|
|---|
| 591 | }
|
|---|
| 592 | }
|
|---|
| 593 | defview {
|
|---|
| 594 | if {[llength $args] != 3} { error "wrong # args: should be \"defview matrixNameList matrixValueList\"" }
|
|---|
| 595 | set n [lindex $args 0]
|
|---|
| 596 | if {![string is int $n]} { error "bad frame value \"$n\"" }
|
|---|
| 597 | set Views($n) [lrange $args 1 end]
|
|---|
| 598 | }
|
|---|
| 599 | max {
|
|---|
| 600 | set nmol [lindex [molinfo list] 0]
|
|---|
| 601 | if {$nmol ne ""} {
|
|---|
| 602 | return [molinfo $nmol get numframes]
|
|---|
| 603 | }
|
|---|
| 604 | return 0
|
|---|
| 605 | }
|
|---|
| 606 | default {
|
|---|
| 607 | error "bad option \"$what\": should be defview, time, rotate, max"
|
|---|
| 608 | }
|
|---|
| 609 | }
|
|---|
| 610 |
|
|---|
| 611 | # service the queue at some point
|
|---|
| 612 | server_send_image -eventually
|
|---|
| 613 | }
|
|---|
| 614 | $parser alias frames cmd_frames
|
|---|
| 615 |
|
|---|
| 616 | # ----------------------------------------------------------------------
|
|---|
| 617 | # USAGE: getview
|
|---|
| 618 | #
|
|---|
| 619 | # Used to query the scaling and centering of the initial view set
|
|---|
| 620 | # by VMD after a molecule is loaded. Returns the following:
|
|---|
| 621 | # <viewName> -rotate <mtx> -global <mtx> -scale <mtx> -center <mtx>
|
|---|
| 622 | # ----------------------------------------------------------------------
|
|---|
| 623 | proc cmd_getview {} {
|
|---|
| 624 | global Scenes
|
|---|
| 625 |
|
|---|
| 626 | if {[llength [molinfo list]] == 0} { return "" }
|
|---|
| 627 | if {$Scenes(@CURRENT) eq ""} { return "" }
|
|---|
| 628 |
|
|---|
| 629 | set rval [list $Scenes(@CURRENT)] ;# start with the scene name
|
|---|
| 630 |
|
|---|
| 631 | lappend rval -rotate [lindex [molinfo top get rotate_matrix] 0] \
|
|---|
| 632 | -scale [lindex [molinfo top get scale_matrix] 0] \
|
|---|
| 633 | -center [lindex [molinfo top get center_matrix] 0] \
|
|---|
| 634 | -global [lindex [molinfo top get global_matrix] 0]
|
|---|
| 635 |
|
|---|
| 636 | return $rval
|
|---|
| 637 | }
|
|---|
| 638 | $parser alias getview cmd_getview
|
|---|
| 639 |
|
|---|
| 640 | #
|
|---|
| 641 | # USAGE: server_safe_resize <width> <height>
|
|---|
| 642 | #
|
|---|
| 643 | # Use this version instead of "display resize" whenever possible.
|
|---|
| 644 | # The VMD "display resize" goes into the event loop, so calling that
|
|---|
| 645 | # causes things to execute out of order. Use this method instead to
|
|---|
| 646 | # store the change and actually resize later.
|
|---|
| 647 | #
|
|---|
| 648 | proc server_safe_resize {w h} {
|
|---|
| 649 | global DisplaySize
|
|---|
| 650 |
|
|---|
| 651 | if {$w != $DisplaySize(w) || $h != $DisplaySize(h)} {
|
|---|
| 652 | set DisplaySize(w) $w
|
|---|
| 653 | set DisplaySize(h) $h
|
|---|
| 654 | set DisplaySize(changed) yes
|
|---|
| 655 | }
|
|---|
| 656 | }
|
|---|
| 657 |
|
|---|
| 658 | # ----------------------------------------------------------------------
|
|---|
| 659 | # SERVER CORE
|
|---|
| 660 | # ----------------------------------------------------------------------
|
|---|
| 661 | proc server_accept {cid addr port} {
|
|---|
| 662 | global env
|
|---|
| 663 |
|
|---|
| 664 | fileevent $cid readable [list server_handle $cid $cid]
|
|---|
| 665 | fconfigure $cid -buffering none -blocking 0
|
|---|
| 666 |
|
|---|
| 667 | if {[info exists env(LOCAL)]} {
|
|---|
| 668 | # identify server type to this client
|
|---|
| 669 | # VMD on the hub has this built in, but stock versions can
|
|---|
| 670 | # set the environment variable as a work-around
|
|---|
| 671 | puts $cid "vmd 0.1"
|
|---|
| 672 | }
|
|---|
| 673 | }
|
|---|
| 674 |
|
|---|
| 675 | proc server_handle {cin cout} {
|
|---|
| 676 | global parser buffer client
|
|---|
| 677 |
|
|---|
| 678 | if {[gets $cin line] < 0} {
|
|---|
| 679 | # when client drops connection, we can exit
|
|---|
| 680 | # nanoscale will spawn a new server next time we need it
|
|---|
| 681 | if {[eof $cin]} {
|
|---|
| 682 | server_exit $cin $cout
|
|---|
| 683 | }
|
|---|
| 684 | } else {
|
|---|
| 685 | append buffer($cin) $line "\n"
|
|---|
| 686 | if {[info complete $buffer($cin)]} {
|
|---|
| 687 | set request $buffer($cin)
|
|---|
| 688 | set buffer($cin) ""
|
|---|
| 689 | set client $cout
|
|---|
| 690 | if {[catch {$parser eval $request} result] == 0} {
|
|---|
| 691 | server_send_image -eventually
|
|---|
| 692 | } else {
|
|---|
| 693 | server_oops $cout $result
|
|---|
| 694 | if { [string match "invalid command*" $result] } {
|
|---|
| 695 | bgerror "I got a invalid command: $result"
|
|---|
| 696 | exit 1
|
|---|
| 697 | }
|
|---|
| 698 | }
|
|---|
| 699 | }
|
|---|
| 700 | }
|
|---|
| 701 | }
|
|---|
| 702 |
|
|---|
| 703 | proc server_send {cout} {
|
|---|
| 704 | global Epoch Sendqueue
|
|---|
| 705 |
|
|---|
| 706 | # grab the next chunk of output and send it along
|
|---|
| 707 | # discard any chunks from an older epoch
|
|---|
| 708 | while {[llength $Sendqueue] > 0} {
|
|---|
| 709 | set chunk [lindex $Sendqueue 0]
|
|---|
| 710 | set Sendqueue [lrange $Sendqueue 1 end]
|
|---|
| 711 |
|
|---|
| 712 | catch {unset data}; array set data $chunk
|
|---|
| 713 | if {$data(epoch) < 0 || $data(epoch) == $Epoch} {
|
|---|
| 714 | catch {puts $cout $data(cmd)}
|
|---|
| 715 |
|
|---|
| 716 | # if this command has a binary data block, send it specially
|
|---|
| 717 | if {[string length $data(bytes)] > 0} {
|
|---|
| 718 | fconfigure $cout -translation binary
|
|---|
| 719 | catch {puts $cout $data(bytes)}
|
|---|
| 720 | fconfigure $cout -translation auto
|
|---|
| 721 | }
|
|---|
| 722 | break
|
|---|
| 723 | }
|
|---|
| 724 | }
|
|---|
| 725 |
|
|---|
| 726 | # nothing left? Then stop callbacks until we get more
|
|---|
| 727 | if {[llength $Sendqueue] == 0} {
|
|---|
| 728 | fileevent $cout writable ""
|
|---|
| 729 | server_send_image -eventually
|
|---|
| 730 | }
|
|---|
| 731 | }
|
|---|
| 732 |
|
|---|
| 733 | proc server_exit {cin cout} {
|
|---|
| 734 | catch {close $cin}
|
|---|
| 735 | catch {exit 0}
|
|---|
| 736 | }
|
|---|
| 737 |
|
|---|
| 738 | # ----------------------------------------------------------------------
|
|---|
| 739 | # SERVER RESPONSES
|
|---|
| 740 | # ----------------------------------------------------------------------
|
|---|
| 741 |
|
|---|
| 742 | # turn off constant updates -- only need them during server_send_image
|
|---|
| 743 | display update off
|
|---|
| 744 |
|
|---|
| 745 | proc server_send_image {{when -now}} {
|
|---|
| 746 | global client Epoch Work Views Sendqueue DisplaySize
|
|---|
| 747 |
|
|---|
| 748 | if {$when eq "-eventually"} {
|
|---|
| 749 | after cancel server_send_image
|
|---|
| 750 | after 1 server_send_image
|
|---|
| 751 | return
|
|---|
| 752 | } elseif {$when ne "-now"} {
|
|---|
| 753 | error "bad option \"$when\" for server_send_image: should be -now or -eventually"
|
|---|
| 754 | }
|
|---|
| 755 |
|
|---|
| 756 | # is there a display resize pending? then resize and try again later
|
|---|
| 757 | if {$DisplaySize(changed)} {
|
|---|
| 758 | set DisplaySize(changed) 0
|
|---|
| 759 | after idle [list display resize $DisplaySize(w) $DisplaySize(h)]
|
|---|
| 760 | after 20 server_send_image
|
|---|
| 761 | return
|
|---|
| 762 | }
|
|---|
| 763 |
|
|---|
| 764 | # loop through requests in the work queue and skip any from an older epoch
|
|---|
| 765 | while {1} {
|
|---|
| 766 | if {[llength $Work(queue)] == 0} {
|
|---|
| 767 | return
|
|---|
| 768 | }
|
|---|
| 769 |
|
|---|
| 770 | set rec [lindex $Work(queue) 0]
|
|---|
| 771 | set Work(queue) [lrange $Work(queue) 1 end]
|
|---|
| 772 |
|
|---|
| 773 | catch {unset item}; array set item $rec
|
|---|
| 774 | if {$item(epoch) < $Epoch} {
|
|---|
| 775 | catch {unset Work($item(num))}
|
|---|
| 776 | continue
|
|---|
| 777 | }
|
|---|
| 778 |
|
|---|
| 779 | # set the frame characteristics and render this frame
|
|---|
| 780 | if {[info exists item(frame)]} {
|
|---|
| 781 | animate goto $item(frame)
|
|---|
| 782 | } elseif {[info exists item(rotate)]} {
|
|---|
| 783 | molinfo top set rotate_matrix [list $item(rotate)]
|
|---|
| 784 | # send rotation matrix back to the client so we can pause later
|
|---|
| 785 | server_send_latest $client [list nv>rotatemtx $item(num) $item(rotate)]
|
|---|
| 786 | } else {
|
|---|
| 787 | puts "ERROR: bad work frame: [array get item]"
|
|---|
| 788 | }
|
|---|
| 789 |
|
|---|
| 790 | # flag to use the stored default view? then set that
|
|---|
| 791 | if {[info exists item(defview)] && $item(defview)} {
|
|---|
| 792 | if {[info exists Views($item(frame))]} {
|
|---|
| 793 | eval molinfo top set $Views($item(frame))
|
|---|
| 794 | }
|
|---|
| 795 | }
|
|---|
| 796 | catch {unset Work($item(num))}
|
|---|
| 797 | break
|
|---|
| 798 | }
|
|---|
| 799 |
|
|---|
| 800 | # force VMD to update and grab the screen
|
|---|
| 801 | display update
|
|---|
| 802 | tkrender SnapShot
|
|---|
| 803 |
|
|---|
| 804 | set data [SnapShot data -format PPM]
|
|---|
| 805 | server_send_latest $client "nv>image epoch $item(epoch) frame $item(num) length [string length $data]" $data
|
|---|
| 806 |
|
|---|
| 807 | # if there's more work in the queue, try again later
|
|---|
| 808 | if {[llength $Work(queue)] > 0} {
|
|---|
| 809 | after 1 server_send_image
|
|---|
| 810 | }
|
|---|
| 811 | }
|
|---|
| 812 |
|
|---|
| 813 | proc server_send_result {cout cmd {data ""}} {
|
|---|
| 814 | global Sendqueue
|
|---|
| 815 |
|
|---|
| 816 | # add this result to the output queue
|
|---|
| 817 | # use the epoch -1 to force the send even if the epoch has changed
|
|---|
| 818 | lappend Sendqueue [list epoch -1 cmd $cmd bytes $data]
|
|---|
| 819 | fileevent $cout writable [list server_send $cout]
|
|---|
| 820 | }
|
|---|
| 821 |
|
|---|
| 822 | proc server_send_latest {cout cmd {data ""}} {
|
|---|
| 823 | global Epoch Sendqueue
|
|---|
| 824 |
|
|---|
| 825 | # add this result to the output queue
|
|---|
| 826 | # wait until the client is ready, then send the output
|
|---|
| 827 | lappend Sendqueue [list epoch $Epoch cmd $cmd bytes $data]
|
|---|
| 828 | fileevent $cout writable [list server_send $cout]
|
|---|
| 829 | }
|
|---|
| 830 |
|
|---|
| 831 | proc server_oops {cout mesg} {
|
|---|
| 832 | # remove newlines -- all lines must start with nv>
|
|---|
| 833 | set mesg [string map {\n " "} $mesg]
|
|---|
| 834 | server_send_result $cout "nv>oops [list $mesg]"
|
|---|
| 835 | }
|
|---|
| 836 |
|
|---|
| 837 | if {$Paradigm eq "socket"} {
|
|---|
| 838 | socket -server server_accept 2018
|
|---|
| 839 | } else {
|
|---|
| 840 | set cin $vmd_client(read)
|
|---|
| 841 | set cout $vmd_client(write)
|
|---|
| 842 |
|
|---|
| 843 | fileevent $cin readable [list server_handle $cin $cout]
|
|---|
| 844 | fconfigure $cout -buffering none -blocking 0
|
|---|
| 845 | }
|
|---|
| 846 |
|
|---|
| 847 | # vmd automatically drops into an event loop at this point...
|
|---|
| 848 | #
|
|---|
| 849 | # The VMD TCL interpreter is by default interactive. Their version
|
|---|
| 850 | # of tkconsole always turns this on. Turn this off
|
|---|
| 851 | # so that unknown commands like "scene" don't get exec-ed.
|
|---|
| 852 | set ::tcl_interactive 0
|
|---|
