Changeset 1133 for branches/sandbox

Timestamp:

Apr 15, 2011 2:48:50 PM (14 years ago)

Author:

lake

Message:

Bug fixes:
1 - sorter in Edit Matrix works correctly.
2 - the last coordinate is no longer dropped when reading in coordinates imported from cartesian and zmatrix.

Location:

branches/sandbox

Files:

• rbimport_cartesian.tcl (modified) (3 diffs)
• rbimport_zmatrix.tcl (modified) (1 diff)
• rigid.tcl (modified) (13 diffs)

branches/sandbox/rbimport_cartesian.tcl ¶

@@ -73 +73 @@
 
      set ::rb_colnum 0
-     for {set linenum 1} {$linenum <= [expr $::rb_linenum - 1]} {incr linenum} {
+     for {set linenum 1} {$linenum <= $::rb_linenum} {incr linenum} {
          for {set colnum 0} {$colnum <= [expr [llength $::tline($linenum)] -1]} {incr colnum} {
              grid [label $main.cart$::rb_colnum -text [lindex $::tline($linenum) $colnum] -width 8] -padx 5 -row $linenum -column [expr $colnum + 1]
@@ -116 +116 @@
      set ::rb_num 1
      set ::rb_matrix_num($bodytyp) 1
-     set sitenum [expr $::rb_linenum - 1]
-     set temp [expr $::rb_linenum - 1]
+     set sitenum $::rb_linenum
+     set temp $::rb_linenum
      set colnum [llength $::tline(1)]
 
@@ -146 +146 @@
 
      set ::rb_coord_num($bodytyp,1) $temp
-    
+
 
     #$::rb_notebook raise [$::rb_notebook page 0]

branches/sandbox/rbimport_zmatrix.tcl ¶

@@ -157 +157 @@
      NewBodyTypeWindow
 
+
 #     $::rb_notebook raise [$::rb_notebook page 0]
 #     set pane [$::rb_notebook getframe rb_body0]

branches/sandbox/rigid.tcl ¶

@@ -169 +169 @@
      set ::rb_matrix_num($bodytyp) 1
      set ::rb_mult($bodytyp,1) 1.000
-     
+
      if {[info vars ::rb_coord_num($bodytyp,1)] == ""} {set ::rb_coord_num($bodytyp,1) 1}
 
@@ -293 +293 @@
      set really $location.delete
      toplevel $really
-     putontop $really
+#     putontop $really
      wm title $really "Delete Rigid Body"
      #wm geometry $really 250x250+10+10
@@ -328 +328 @@
 
 proc RB_Populate {rb_notebook bodytyp args} {
+     RB_Load_RBdata
      set ::rb_panel $bodytyp
      set phaselist $::expmap(phaselist)
@@ -357 +358 @@
      }
 
-     button $con.rb_vmatrix -text "Edit Matrix" -command "RB_Edit_Matrix $matrixnum" -width 18
+     button $con.rb_vmatrix -text "Edit Matrix" -command "RB_Edit_Matrix $bodytyp" -width 18
      grid   $con.rb_vmatrix -row 4 -column 1 -padx 5 -pady 5
      grid [button $con.refine -text "Refinement \n Flags" -command "RB_Refine_Con" -width 18 ] -row 5 -column 1
@@ -597 +598 @@
     }
     # show deviations
+    
     foreach atom $atoms rms $rmsbyatom {
-#       puts "[atominfo $phase $atom label]\t$rms"
+        puts "[atominfo $phase $atom label]\t$rms"
     }
     #puts "CalcBody $Euler $cell $coords $origin"
@@ -804 +806 @@
 
 proc RB_Edit_Matrix {bodnum args} {
+     puts "Bodnum = $bodnum"
      catch {destroy .viewmatrix}
      set em .viewmatrix
      toplevel $em
-#     putontop $em
+     putontop $em
      wm title $em "Edit Matrices for Rigid Body $bodnum"
 
@@ -817 +820 @@
      grid [frame $sm -bd 2 -relief groove] -row 1 -column 0
 
-     grid [label $sm.sort -text "Sort Atoms"] -row 1 -column 0 -columnspan 2
+     grid [label $sm.sort -text "Sort Matrix"] -row 1 -column 0 -columnspan 2
      grid [button $sm.inc -text "\u2191" -command "RB_Sort_Inc $bodnum inc"] -row 2 -column 0
      grid [button $sm.dec -text "\u2193" -command "RB_Sort_Inc $bodnum dec"] -row 2 -column 1
@@ -887 +890 @@
              }
      }
-
+     if {$dir == "dec"} {set sortlist [RB_String_Reverse $sortlist]}
 
      for {set i 1} {$i <= $::rb_matrix_num($bodnum)} {incr i} {
@@ -893 +896 @@
              if {$dir == "inc"} {set line1 [expr $sort - 1]}
              if {$dir == "dec"} {set line1 [expr $sort + 1]}
-
-
-#                      if {$line1 >= 0 && $line1 < $::rb_coord_num($bodnum,1)} {
-                         set x1dum $::x($i,$line1)
-                         set y1dum $::y($i,$line1)
-                         set z1dum $::z($i,$line1)
-                         set ::x($i,$line1) $::x($i,$sort)
-                         set ::y($i,$line1) $::y($i,$sort)
-                         set ::z($i,$line1) $::z($i,$sort)
-                         set ::x($i,$sort) $x1dum
-                         set ::y($i,$sort) $y1dum
-                         set ::z($i,$sort) $z1dum
-#                      } else {bell}
+             set x1dum $::x($i,$line1)
+             set y1dum $::y($i,$line1)
+             set z1dum $::z($i,$line1)
+             set ::x($i,$line1) $::x($i,$sort)
+             set ::y($i,$line1) $::y($i,$sort)
+             set ::z($i,$line1) $::z($i,$sort)
+             set ::x($i,$sort) $x1dum
+             set ::y($i,$sort) $y1dum
+             set ::z($i,$sort) $z1dum
+
              set ::rb_sort($sort) 0
              if {$dir == "inc"} {set ::rb_sort([expr $sort - 1]) 1}
@@ -913 +913 @@
                 }
              }
-
-
-          }
-     }
+        }
+     }
+
+}
+
+proc RB_String_Reverse {string args} {
+    puts "$string"
+    set rstring ""
+    set len [expr [llength $string] - 1]
+    while {$len > -1} {
+        lappend rstring [lindex $string $len]
+        incr len -1
+    }
+    puts "contents of rstring = $rstring"
+    return $rstring
 }
 
@@ -1055 +1066 @@
      destroy .nbt
      toplevel .nbt
+     putontop .nbt
      set con1 .nbt.1
      set con2 .nbt.2
@@ -1064 +1076 @@
      grid [label $con1.lbl -text "New Rigid Body Type $bodytyp"] -row 0 -column 0
      grid [label $con1.mat -text "Number of Matricies Describing Rigid Body"] -row 1 -column 0
-     
+
 
 
@@ -1398 +1410 @@
                   foreach mapnum $rb_map_num($phasenum,$bodnum) {
 #                         puts "mapnum = $mapnum"
-                         grid [checkbutton $main.check($phasenum,$bodnum,$mapnum)] -row $row -column 0
+#                         grid [checkbutton $main.check($phasenum,$bodnum,$mapnum)] -row $row -column 0
                          grid [label $main.body($phasenum,$bodnum,$mapnum) -text $bodnum] -row $row -column 1
                          grid [label $main.phase($phasenum,$bodnum,$mapnum) -text $phasenum] -row $row -column 2