Changeset 6186

Timestamp:

Mar 23, 2016 12:07:30 AM (8 years ago)

Author:

ldelgass

Message:

merge from trunk

Location:

vmdshow/branches/0.1

Files:

• . (modified) (1 prop)
• vmdserver.tcl (modified) (19 diffs)

vmdshow/branches/0.1/vmdserver.tcl

@@ -69 +69 @@
 set Sendqueue ""
 set Scenes(@CURRENT) ""
+set tmpDir ""
 
 set parser [interp create -safe]
 
 foreach cmd {
-  axes
-  color
-  gettimestep
-  graphics
-  imd
-  label
-  vmd_label
-  light
-  material
-  measure
-  mobile
-  mol
-  molinfo
-  molecule
-  mouse
-  parallel
-  plugin
-  rawtimestep
-  render
-  rotate
-  rotmat
-  scale
-  vmd_scale
-  spaceball
-  stage
-  tkrender
-  tool
-  translate
-  user
-  vmdcollab
-  vmdcon
-  vmdinfo
-  vmdbench
-  volmap
+    axes
+    color
+    gettimestep
+    graphics
+    imd
+    label
+    vmd_label
+    light
+    material
+    measure
+    mobile
+    mol
+    molinfo
+    molecule
+    mouse
+    parallel
+    plugin
+    rawtimestep
+    render
+    rotate
+    rotmat
+    scale
+    vmd_scale
+    spaceball
+    stage
+    tkrender
+    tool
+    translate
+    user
+
+    vecadd
+    veccross
+    vecdist
+    vecdot
+    vecinvert
+    veclength
+    veclength2
+    vecmean
+    vecmul
+    vecnorm
+    vecscale
+    vecscale
+    vecstddev
+    vecsub
+    vecsum
+    veczero
+    
+    vmdcollab
+    vmdcon
+    vmdinfo
+    vmdbench
+    volmap
 } {
     $parser alias $cmd $cmd
@@ -146 +165 @@
 }
 $parser alias tellme cmd_tellme
+$parser alias set_temporary_directory server_set_temporary_directory
 
 # ----------------------------------------------------------------------
@@ -297 +317 @@
             display shadows off
 
+            if 0 {
             foreach nmol [molinfo list] {
                 set max [molinfo $nmol get numreps]
@@ -303 +324 @@
                 }
             }
+            }
         }
         end {
@@ -310 +332 @@
             display shadows $DisplayProps(shadows)
 
+            if 0 {
             # restore rendering methods for all representations
             foreach nmol [molinfo list] {
@@ -317 +340 @@
                 }
             }
+            }
         }
         default {
@@ -408 +432 @@
 # DCD, PSF, etc.
 # ----------------------------------------------------------------------
-proc cmd_load {args} {
-    global MolInfo MolNames
+proc cmd_load { fileList } {
+    puts stderr "cmd_load fileList=$fileList\n"
+    global MolInfo MolNames tmpDir
 
     # clear all existing molecules
@@ -419 +444 @@
 
     # load new files
-    if {![regexp {^@name:} $args]} {
+    if {![regexp {^@name:} $fileList]} {
         # make sure that there is at least one name in the list
-        set args [linsert $args 0 "@name:0"]
-    }
+        set fileList [linsert $fileList 0 "@name:0"]
+    }
+    puts stderr "2. cmd_load fileList=$fileList"
 
     set slot 0
-    foreach file $args {
+    foreach file $fileList {
+    puts stderr "file=$file\n"
         if {[regexp {^@name:(.+)} $file match name]} {
             set op "new"
             continue
         }
+        if { $tmpDir != "" } {
+            set tmpFile [file join $tmpDir [file tail $file]]
+            if { [file exists $tmpFile] } {
+                set file $tmpFile
+            }
+        }
         mol $op $file waitfor all
-
+        if { ![info exists name] } {
+            puts stderr "can't find name file=$file"
+        }
         if {$op eq "new"} {
             set newnum [lindex [molinfo list] end]
@@ -452 +487 @@
 
 # ----------------------------------------------------------------------
-# USAGE: scene define <name> <script>
-# USAGE: scene show <name> ?-before <viewCmd>? ?-after <viewCmd>?
+# USAGE: scene define id <script>
+# USAGE: scene show id ?-before <viewCmd>? ?-after <viewCmd>?
 # USAGE: scene clear
-# USAGE: scene forget ?<name> <name>...?
+# USAGE: scene forget ?id id...?
 #
 # Used to define and manipulate scenes of the trajectory information
 # loaded previously by the "load" command.  The "define" operation
-# defines the script that loads a scene called <name>.  The "show"
+# defines the script that loads a scene called <id>.  The "show"
 # operation executes that script to show the scene.  The "clear"
 # operation clears the current scene (usually in preparation for 
 # showing another scene).  The "forget" operation erases one or more
-# scene definitions; if no names are specified, then all scenes are
+# scene definitions; if no ids are specified, then all scenes are
 # forgotten.
 # ----------------------------------------------------------------------
@@ -472 +507 @@
         define {
             if {[llength $args] != 2} {
-                error "wrong # args: should be \"scene define name script\""
-            }
-            set name [lindex $args 0]
+                error "wrong # args: should be \"scene define id script\""
+            }
+            set id [lindex $args 0]
             set script [lindex $args 1]
-            set Scenes($name) $script
+            set Scenes($id) $script
         }
         show {
             if {[llength $args] < 1 || [llength $args] > 5} {
-                error "wrong # args: should be \"scene show name ?-before cmd? ?-after cmd?\""
-            }
-            set name [lindex $args 0]
-            if {![info exists Scenes($name)]} {
-                error "bad scene name \"$name\": should be one of [join [array names Scenes] {, }]"
+                error "wrong # args: should be \"scene show id ?-before cmd? ?-after cmd?\""
+            }
+            set id [lindex $args 0]
+            if {![info exists Scenes($id)]} {
+                error "bad scene id \"$id\": should be one of [join [array names Scenes] {, }]"
             }
 
@@ -513 +548 @@
             $parser eval [list array set mol [array get MolInfo]]
 
-            if {[catch {$parser eval $Scenes($name)} result]} {
-                error "$result\nwhile loading scene \"$name\""
+            if {[catch {$parser eval $Scenes($id)} result]} {
+                error "$result\nwhile loading scene \"$id\""
             }
 
@@ -529 +564 @@
             }
 
-            # store the scene name for later
-            set Scenes(@CURRENT) $name
+            # store the scene id for later
+            set Scenes(@CURRENT) $id
 
             # if -after arg was given, send back the view after the script
@@ -556 +591 @@
                 set args [array names Scenes]
             }
-            foreach name $args {
-                if {$name eq "@CURRENT"} continue
-                catch {unset Scenes($name)}
-                if {$name eq $Scenes(@CURRENT)} {
+            foreach id $args {
+                if {$id eq "@CURRENT"} continue
+                catch {unset Scenes($id)}
+                if {$id eq $Scenes(@CURRENT)} {
                     set Scenes(@CURRENT) ""
                 }
@@ -768 +803 @@
     global Scenes
 
-    if {[llength [molinfo list]] == 0} { return "" }
-    if {$Scenes(@CURRENT) eq ""} { return "" }
-
-    set rval [list $Scenes(@CURRENT)]  ;# start with the scene name
+    if { [llength [molinfo list]] == 0 } {
+        return ""
+    }
+    if { $Scenes(@CURRENT) eq "" } {
+        return ""
+    }
+
+    set rval [list $Scenes(@CURRENT)]  ;# start with the scene id
 
     lappend rval -rotate [lindex [molinfo top get rotate_matrix] 0] \
@@ -781 +820 @@
 }
 $parser alias getview cmd_getview
+
+proc cmd_atomselect {args} {
+    global parser
+    
+    foreach arg $args { 
+        if { $arg == "writepdb" } {
+            error "autoselect \"writepdb\" option is disallowed"
+        }
+    }
+    set cmd [eval atomselect $args]
+    $parser alias $cmd $cmd
+    return $cmd
+}
+    
+$parser alias atomselect cmd_atomselect
 
 #
@@ -824 +878 @@
         # nanoscale will spawn a new server next time we need it
         if {[eof $cin]} {
-            server_exit $cin $cout
+            server_exit $cin $cout 0
         }
     } else {
@@ -838 +892 @@
                 if { [string match "invalid command*" $result] } {
                     bgerror "server received invalid command: $result"
-                    exit 1
+                    server_exit $cin $cout 1
                 }
             }
@@ -875 +929 @@
 }
 
-proc server_exit {cin cout} {
+proc server_exit {cin cout code} {
     catch {close $cin}
-    catch {exit 0}
+    catch {exit $code}
+    
 }
 
@@ -955 +1010 @@
 }
 
+proc server_set_temporary_directory { path } {
+    global tmpDir 
+
+    set tmpDir $path
+}
+
 proc server_send_result {cout cmd {data ""}} {
     global Sendqueue