Changeset 7 for trunk

Timestamp:

Mar 25, 2005, 8:22:06 AM (19 years ago)

Author:

mmc

Message:

Created an initial EnergyLevels? viewer and MoleculeViewer?. The
MoleculeViewer? is integrated into the driver, but the EnergyLevels?
is not. The material library file contains some new properties
for the appearance of atoms, and the MoleculeViewer? uses this.
Both energyLevels.tcl and moleculeViewer.tcl still have some
driver code at the bottom of the files, so you can run them as
a single file, by themselves, for testing. This code should be
removed when we get further along.

Location:

trunk

Files:

• gui/apps/driver (modified) (3 diffs)
• gui/scripts/energyLevels.tcl (added)
• gui/scripts/moleculeViewer.tcl (added)
• lib/library.xml (modified) (1 diff)
• tcl/scripts/library.tcl (modified) (1 diff)

trunk/gui/apps/driver

@@ -150 +150 @@
 set dfirst ""
 set dlist [$config children -type structure controls]
+puts "device: $dlist"
 if {"" != $dlist} {
     foreach dname $dlist {
         set obj [$config element -flavor object controls.$dname]
         set name [$obj get label]
+puts " => $name = $obj"
         set devs($name) $obj
     }
@@ -175 +177 @@
     set first [lindex $devlist 0]
     set dfirst $devs($first)
-    Rappture::DeviceViewer1D $w.device -device $devs($first) \
-        -tool $tool -library $lib
+    set tags [$dfirst children]
+    set i [lsearch $tags label]
+    if {$i >= 0} {set tags [lreplace $tags $i $i]}
+
+puts "first device: tags = $tags"
+    if {$tags == "molecule"} {
+        Rappture::MoleculeViewer $w.device -device $devs($first) \
+            -library $lib
+    } else {
+        Rappture::DeviceViewer1D $w.device -device $devs($first) \
+            -tool $tool -library $lib
+    }
     pack $w.device -expand yes -fill both
 
@@ -198 +210 @@
     switch -glob -- $name {
         parameters.ambient* - structure* {
-            $win.input.device controls add $name
-        }
-    }
-}
+##            $win.input.device controls add $name
+        }
+    }
+}

trunk/lib/library.xml

@@ -28 +28 @@
   </group>
 </parameters>
+<elements>
+  <atom id="H">
+    <color>white</color>
+    <scale>0.7</scale>
+  </atom>
+  <atom id="C">
+    <color>green</color>
+    <scale>1.0</scale>
+  </atom>
+  <atom id="O">
+    <color>red</color>
+    <scale>1.0</scale>
+  </atom>
+  <atom id="N">
+    <color>blue</color>
+    <scale>1.0</scale>
+  </atom>
+  <atom id="S">
+    <color>yellow</color>
+    <scale>1.0</scale>
+  </atom>
+</elements>
 <materials>
   <material name="GaAs">

trunk/tcl/scripts/library.tcl

@@ -57 +57 @@
     }
 
-    # otherwise, try to open the file and create its LibraryObj
-    set fid [::open $fname r]
-    set info [read $fid]
-    close $fid
+    if {[regexp {^<\?[Xx][Mm][Ll]} $fname]} {
+        set info $fname
+    } else {
+        # otherwise, try to open the file and create its LibraryObj
+        set fid [::open $fname r]
+        set info [read $fid]
+        close $fid
+    }
 
     set obj [Rappture::LibraryObj ::#auto $info]