1 | # ----------------------------------------------------------------------
|
---|
2 | # HUBZERO: server for VMD
|
---|
3 | #
|
---|
4 | # This program runs VMD and acts as a server for client applications.
|
---|
5 | # ----------------------------------------------------------------------
|
---|
6 | # Michael McLennan (mmclennan@purdue.edu)
|
---|
7 | # ======================================================================
|
---|
8 | # Copyright (c) 2013 - HUBzero Foundation, LLC
|
---|
9 | # ======================================================================
|
---|
10 |
|
---|
11 | # The VMD TCL interpreter is by default interactive. Turn this off
|
---|
12 | # so that unknown commands like "scene" don't get exec-ed.
|
---|
13 | set ::tcl_interactive 0
|
---|
14 |
|
---|
15 | proc bgerror {mesg} {
|
---|
16 | puts stderr "SERVER ERROR: $mesg"
|
---|
17 | }
|
---|
18 |
|
---|
19 | # parse command line args
|
---|
20 | set Paradigm "socket"
|
---|
21 | while {[llength $argv] > 0} {
|
---|
22 | set opt [lindex $argv 0]
|
---|
23 | set argv [lrange $argv 1 end]
|
---|
24 |
|
---|
25 | switch -- $opt {
|
---|
26 | -socket { set Paradigm "socket" }
|
---|
27 | -stdio { set Paradigm "stdio" }
|
---|
28 | default {
|
---|
29 | puts stderr "bad option \"$opt\": should be -socket or -stdio"
|
---|
30 | }
|
---|
31 | }
|
---|
32 | }
|
---|
33 |
|
---|
34 | # use this to take snapshots to send to clients
|
---|
35 | image create photo SnapShot
|
---|
36 |
|
---|
37 | # set the screen to a good size
|
---|
38 | set DisplaySize(w) 300
|
---|
39 | set DisplaySize(h) 300
|
---|
40 | display resize $DisplaySize(w) $DisplaySize(h)
|
---|
41 | set DisplaySize(changed) 0
|
---|
42 |
|
---|
43 | # capture initial display settings for later reset
|
---|
44 | display antialias on
|
---|
45 |
|
---|
46 | set DisplayProps(options) ""
|
---|
47 | foreach key {
|
---|
48 | ambientocclusion antialias aoambient aodirect
|
---|
49 | backgroundgradient
|
---|
50 | culling cuestart cueend cuedensity cuemode
|
---|
51 | depthcue distance
|
---|
52 | eyesep
|
---|
53 | farclip focallength
|
---|
54 | height
|
---|
55 | nearclip
|
---|
56 | projection
|
---|
57 | shadows stereo
|
---|
58 | } {
|
---|
59 | if {$key eq "nearclip" || $key eq "farclip"} {
|
---|
60 | append DisplayProps(options) [list display $key set [display get $key]] "\n"
|
---|
61 | } else {
|
---|
62 | append DisplayProps(options) [list display $key [display get $key]] "\n"
|
---|
63 | }
|
---|
64 | }
|
---|
65 |
|
---|
66 | # initialize work queue and epoch counter (see server_send_image)
|
---|
67 | set Epoch 0
|
---|
68 | set Work(queue) ""
|
---|
69 | set Sendqueue ""
|
---|
70 | set Scenes(@CURRENT) ""
|
---|
71 |
|
---|
72 | set parser [interp create -safe]
|
---|
73 |
|
---|
74 | foreach cmd {
|
---|
75 | vmdinfo
|
---|
76 | vmdbench
|
---|
77 | color
|
---|
78 | axes
|
---|
79 | imd
|
---|
80 | vmdcollab
|
---|
81 | vmd_label
|
---|
82 | light
|
---|
83 | material
|
---|
84 | vmd_menu
|
---|
85 | stage
|
---|
86 | light
|
---|
87 | user
|
---|
88 | mol
|
---|
89 | molinfo
|
---|
90 | molecule
|
---|
91 | mouse
|
---|
92 | mobile
|
---|
93 | spaceball
|
---|
94 | plugin
|
---|
95 | render
|
---|
96 | tkrender
|
---|
97 | rotate
|
---|
98 | rotmat
|
---|
99 | vmd_scale
|
---|
100 | translate
|
---|
101 | sleep
|
---|
102 | tool
|
---|
103 | measure
|
---|
104 | rawtimestep
|
---|
105 | gettimestep
|
---|
106 | vmdcon
|
---|
107 | volmap
|
---|
108 | parallel
|
---|
109 | } {
|
---|
110 | $parser alias $cmd $cmd
|
---|
111 | }
|
---|
112 |
|
---|
113 | # ----------------------------------------------------------------------
|
---|
114 | # USAGE: display option ?arg arg...?
|
---|
115 | #
|
---|
116 | # Executes the "command arg arg..." string in the server and substitutes
|
---|
117 | # the result into the template string in place of each "%v" field.
|
---|
118 | # Sends the result back to the client.
|
---|
119 | # ----------------------------------------------------------------------
|
---|
120 | proc cmd_display {args} {
|
---|
121 | set option [lindex $args 0]
|
---|
122 | if {[lsearch {resize reposition rendermode update fps} $option] >= 0} {
|
---|
123 | # ignore these commands -- they cause trouble
|
---|
124 | return ""
|
---|
125 | }
|
---|
126 | eval display $args
|
---|
127 | }
|
---|
128 | $parser alias display cmd_display
|
---|
129 |
|
---|
130 | # ----------------------------------------------------------------------
|
---|
131 | # USAGE: tellme "command template with %v" command arg arg...
|
---|
132 | #
|
---|
133 | # Executes the "command arg arg..." string in the server and substitutes
|
---|
134 | # the result into the template string in place of each "%v" field.
|
---|
135 | # Sends the result back to the client.
|
---|
136 | # ----------------------------------------------------------------------
|
---|
137 | proc cmd_tellme {fmt args} {
|
---|
138 | global parser client
|
---|
139 |
|
---|
140 | # evaluate args as a command and subst the result in the fmt string
|
---|
141 | if {[catch {$parser eval $args} result] == 0} {
|
---|
142 | server_send_result $client "nv>[string map [list %v $result] $fmt]"
|
---|
143 | } else {
|
---|
144 | server_oops $client $result
|
---|
145 | }
|
---|
146 | }
|
---|
147 | $parser alias tellme cmd_tellme
|
---|
148 |
|
---|
149 | # ----------------------------------------------------------------------
|
---|
150 | # USAGE: resize <w> <h>
|
---|
151 | #
|
---|
152 | # Resizes the visualization window to the given width <w> and height
|
---|
153 | # <h>. The next image sent should be this size.
|
---|
154 | # ----------------------------------------------------------------------
|
---|
155 | proc cmd_resize {w h} {
|
---|
156 | global DisplayProps
|
---|
157 |
|
---|
158 | # store the desired size in case we downscale
|
---|
159 | set DisplayProps(framew) $w
|
---|
160 | set DisplayProps(frameh) $h
|
---|
161 |
|
---|
162 | server_safe_resize $w $h
|
---|
163 | }
|
---|
164 | $parser alias resize cmd_resize
|
---|
165 |
|
---|
166 | # ----------------------------------------------------------------------
|
---|
167 | # USAGE: setview ?-rotate <mtx>? ?-scale <mtx>? ?-center <mtx>? ?-global <mtx>?
|
---|
168 | #
|
---|
169 | # Sets the view matrix for one or more components of the view. This
|
---|
170 | # is a convenient way of getting a view for a particular frame just
|
---|
171 | # right in one shot.
|
---|
172 | # ----------------------------------------------------------------------
|
---|
173 | proc cmd_setview {args} {
|
---|
174 | if {[llength $args] == 8} {
|
---|
175 | # setting all matrices? then start clean
|
---|
176 | display resetview
|
---|
177 | }
|
---|
178 | foreach {key val} $args {
|
---|
179 | switch -- $key {
|
---|
180 | -rotate {
|
---|
181 | molinfo top set rotate_matrix [list $val]
|
---|
182 | }
|
---|
183 | -scale {
|
---|
184 | molinfo top set scale_matrix [list $val]
|
---|
185 | }
|
---|
186 | -center {
|
---|
187 | molinfo top set center_matrix [list $val]
|
---|
188 | }
|
---|
189 | -global {
|
---|
190 | molinfo top set global_matrix [list $val]
|
---|
191 | }
|
---|
192 | default {
|
---|
193 | error "bad option \"$key\": should be -rotate, -scale, -center, or -global"
|
---|
194 | }
|
---|
195 | }
|
---|
196 | }
|
---|
197 | }
|
---|
198 | $parser alias setview cmd_setview
|
---|
199 |
|
---|
200 | # ----------------------------------------------------------------------
|
---|
201 | # USAGE: drag start|end
|
---|
202 | #
|
---|
203 | # Resizes the visualization window to the given width <w> and height
|
---|
204 | # <h>. The next image sent should be this size.
|
---|
205 | # ----------------------------------------------------------------------
|
---|
206 | proc cmd_drag {action} {
|
---|
207 | global DisplayProps
|
---|
208 |
|
---|
209 | switch -- $action {
|
---|
210 | start {
|
---|
211 | # simplify rendering so it goes faster during drag operations
|
---|
212 | set neww [expr {round($DisplayProps(framew)/2.0)}]
|
---|
213 | set newh [expr {round($DisplayProps(frameh)/2.0)}]
|
---|
214 | server_safe_resize $neww $newh
|
---|
215 | display rendermode Normal
|
---|
216 | display shadows off
|
---|
217 |
|
---|
218 | foreach nmol [molinfo list] {
|
---|
219 | set max [molinfo $nmol get numreps]
|
---|
220 | for {set nrep 0} {$nrep < $max} {incr nrep} {
|
---|
221 | mol modstyle $nrep $nmol "Lines"
|
---|
222 | }
|
---|
223 | }
|
---|
224 | }
|
---|
225 | end {
|
---|
226 | # put original rendering options back
|
---|
227 | server_safe_resize $DisplayProps(framew) $DisplayProps(frameh)
|
---|
228 | display rendermode $DisplayProps(rendermode)
|
---|
229 | display shadows $DisplayProps(shadows)
|
---|
230 |
|
---|
231 | # restore rendering methods for all representations
|
---|
232 | foreach nmol [molinfo list] {
|
---|
233 | set max [molinfo $nmol get numreps]
|
---|
234 | for {set nrep 0} {$nrep < $max} {incr nrep} {
|
---|
235 | mol modstyle $nrep $nmol $DisplayProps(rep-$nmol-$nrep)
|
---|
236 | }
|
---|
237 | }
|
---|
238 | }
|
---|
239 | default {
|
---|
240 | error "bad option \"$action\": should be start or end"
|
---|
241 | }
|
---|
242 | }
|
---|
243 | }
|
---|
244 | $parser alias drag cmd_drag
|
---|
245 |
|
---|
246 | # ----------------------------------------------------------------------
|
---|
247 | # USAGE: smoothreps <value>
|
---|
248 | #
|
---|
249 | # Changes the smoothing factor for all representations of the current
|
---|
250 | # molecule.
|
---|
251 | # ----------------------------------------------------------------------
|
---|
252 | proc cmd_smoothreps {val} {
|
---|
253 | if {$val < 0} {
|
---|
254 | error "bad smoothing value \"$val\": should be >= 0"
|
---|
255 | }
|
---|
256 | foreach nmol [molinfo list] {
|
---|
257 | set max [molinfo $nmol get numreps]
|
---|
258 | for {set nrep 0} {$nrep < $max} {incr nrep} {
|
---|
259 | mol smoothrep $nmol $nrep $val
|
---|
260 | }
|
---|
261 | }
|
---|
262 | }
|
---|
263 | $parser alias smoothreps cmd_smoothreps
|
---|
264 |
|
---|
265 | # ----------------------------------------------------------------------
|
---|
266 | # USAGE: animate <option> <args>...
|
---|
267 | # USAGE: rock off
|
---|
268 | # USAGE: rock x|y|z by <step> ?<n>?
|
---|
269 | #
|
---|
270 | # The usual VMD "animate" and "rock" commands are problematic for this
|
---|
271 | # server. If we're going to rock or play the animation, the client
|
---|
272 | # will do it. Intercept any "animate" and "rock" commands in the scene
|
---|
273 | # scripts and do nothing.
|
---|
274 | # ----------------------------------------------------------------------
|
---|
275 | proc cmd_animate {args} {
|
---|
276 | # do nothing
|
---|
277 | }
|
---|
278 | $parser alias animate cmd_animate
|
---|
279 |
|
---|
280 | proc cmd_rock {args} {
|
---|
281 | # do nothing
|
---|
282 | }
|
---|
283 | $parser alias rock cmd_rock
|
---|
284 |
|
---|
285 | # ----------------------------------------------------------------------
|
---|
286 | # USAGE: load <file> <file>...
|
---|
287 | #
|
---|
288 | # Loads the molecule data from one or more files, which may be PDB,
|
---|
289 | # DCD, PSF, etc.
|
---|
290 | # ----------------------------------------------------------------------
|
---|
291 | proc cmd_load {args} {
|
---|
292 | # clear all existing molecules
|
---|
293 | foreach nmol [molinfo list] {
|
---|
294 | mol delete $nmol
|
---|
295 | }
|
---|
296 |
|
---|
297 | # load new files
|
---|
298 | set op "new"
|
---|
299 | foreach file $args {
|
---|
300 | mol $op $file waitfor all
|
---|
301 | set op "addfile"
|
---|
302 | }
|
---|
303 |
|
---|
304 | # BE CAREFUL -- force a "display update" here
|
---|
305 | # that triggers something in VMD that changes view matrices now,
|
---|
306 | # so if we change them later, the new values stick
|
---|
307 | display update
|
---|
308 | }
|
---|
309 | $parser alias load cmd_load
|
---|
310 |
|
---|
311 | # ----------------------------------------------------------------------
|
---|
312 | # USAGE: scene define <name> <script>
|
---|
313 | # USAGE: scene show <name> ?-before <viewCmd>? ?-after <viewCmd>?
|
---|
314 | # USAGE: scene clear
|
---|
315 | # USAGE: scene forget ?<name> <name>...?
|
---|
316 | #
|
---|
317 | # Used to define and manipulate scenes of the trajectory information
|
---|
318 | # loaded previously by the "load" command. The "define" operation
|
---|
319 | # defines the script that loads a scene called <name>. The "show"
|
---|
320 | # operation executes that script to show the scene. The "clear"
|
---|
321 | # operation clears the current scene (usually in preparation for
|
---|
322 | # showing another scene). The "forget" operation erases one or more
|
---|
323 | # scene definitions; if no names are specified, then all scenes are
|
---|
324 | # forgotten.
|
---|
325 | # ----------------------------------------------------------------------
|
---|
326 | proc cmd_scene {option args} {
|
---|
327 | global Scenes Views DisplayProps parser
|
---|
328 |
|
---|
329 | switch -- $option {
|
---|
330 | define {
|
---|
331 | if {[llength $args] != 2} {
|
---|
332 | error "wrong # args: should be \"scene define name script\""
|
---|
333 | }
|
---|
334 | set name [lindex $args 0]
|
---|
335 | set script [lindex $args 1]
|
---|
336 | set Scenes($name) $script
|
---|
337 | }
|
---|
338 | show {
|
---|
339 | if {[llength $args] < 1 || [llength $args] > 5} {
|
---|
340 | error "wrong # args: should be \"scene show name ?-before cmd? ?-after cmd?\""
|
---|
341 | }
|
---|
342 | set name [lindex $args 0]
|
---|
343 | if {![info exists Scenes($name)]} {
|
---|
344 | error "bad scene name \"$name\": should be one of [join [array names Scenes] {, }]"
|
---|
345 | }
|
---|
346 |
|
---|
347 | set triggers(before) ""
|
---|
348 | set triggers(after) ""
|
---|
349 | foreach {key val} [lrange $args 1 end] {
|
---|
350 | switch -- $key {
|
---|
351 | -before { set triggers(before) $val }
|
---|
352 | -after { set triggers(after) $val }
|
---|
353 | default { error "bad option \"$key\": should be -before, -after" }
|
---|
354 | }
|
---|
355 | }
|
---|
356 |
|
---|
357 | # if -before arg was given, send back the view right now
|
---|
358 | if {$triggers(before) ne "" && $Scenes(@CURRENT) ne ""} {
|
---|
359 | cmd_tellme $triggers(before) getview
|
---|
360 | }
|
---|
361 |
|
---|
362 | # clear the old scene
|
---|
363 | cmd_scene clear
|
---|
364 | display resetview
|
---|
365 |
|
---|
366 | # use a safe interp to keep things safe
|
---|
367 | foreach val [$parser eval {info vars}] {
|
---|
368 | # clear all variables created by previous scripts
|
---|
369 | $parser eval [list catch [list unset $val]]
|
---|
370 | }
|
---|
371 | if {[catch {$parser eval $Scenes($name)} result]} {
|
---|
372 | error "$result\nwhile loading scene \"$name\""
|
---|
373 | }
|
---|
374 |
|
---|
375 | # capture display characteristics in case we ever need to reset
|
---|
376 | set DisplayProps(rendermode) [display get rendermode]
|
---|
377 | set DisplayProps(shadows) [display get shadows]
|
---|
378 |
|
---|
379 | foreach nmol [molinfo list] {
|
---|
380 | set max [molinfo $nmol get numreps]
|
---|
381 | for {set nrep 0} {$nrep < $max} {incr nrep} {
|
---|
382 | set style [lindex [molinfo $nmol get "{rep $nrep}"] 0]
|
---|
383 | set DisplayProps(rep-$nmol-$nrep) $style
|
---|
384 | }
|
---|
385 | }
|
---|
386 |
|
---|
387 | # store the scene name for later
|
---|
388 | set Scenes(@CURRENT) $name
|
---|
389 |
|
---|
390 | # if -after arg was given, send back the view after the script
|
---|
391 | if {$triggers(after) ne ""} {
|
---|
392 | cmd_tellme $triggers(after) getview
|
---|
393 | }
|
---|
394 | }
|
---|
395 | clear {
|
---|
396 | foreach mol [molinfo list] {
|
---|
397 | set numOfRep [lindex [mol list $mol] 12]
|
---|
398 | for {set i 1} {$i <= $numOfRep} {incr i} {
|
---|
399 | mol delrep 0 $mol
|
---|
400 | }
|
---|
401 | }
|
---|
402 | set Scenes(@CURRENT) ""
|
---|
403 | catch {unset Views}
|
---|
404 |
|
---|
405 | # reset the server properties
|
---|
406 | axes location off
|
---|
407 | color Display Background black
|
---|
408 | eval $DisplayProps(options)
|
---|
409 | }
|
---|
410 | forget {
|
---|
411 | if {[llength $args] == 0} {
|
---|
412 | set args [array names Scenes]
|
---|
413 | }
|
---|
414 | foreach name $args {
|
---|
415 | if {$name eq "@CURRENT"} continue
|
---|
416 | catch {unset Scenes($name)}
|
---|
417 | if {$name eq $Scenes(@CURRENT)} {
|
---|
418 | set Scenes(@CURRENT) ""
|
---|
419 | }
|
---|
420 | }
|
---|
421 | }
|
---|
422 | default {
|
---|
423 | error "bad option \"$option\": should be define, show, clear, forget"
|
---|
424 | }
|
---|
425 | }
|
---|
426 | }
|
---|
427 | $parser alias scene cmd_scene
|
---|
428 |
|
---|
429 | # ----------------------------------------------------------------------
|
---|
430 | # USAGE: frames defview <frame> {matrixNames...} {matrixValues...}
|
---|
431 | # USAGE: frames time <epochValue> <start> ?<finish>? ?<inc>? ?-defview?
|
---|
432 | # USAGE: frames rotate <epochValue> <xa> <ya> <za> <number>
|
---|
433 | # USAGE: frames max
|
---|
434 | #
|
---|
435 | # Used to request one or more frames for an animation. A "time"
|
---|
436 | # animation is a series of frames between two time points. A "rotate"
|
---|
437 | # animation is a series of frames that rotate the view 360 degrees.
|
---|
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
|
---|