Changeset 1778 for trunk

Timestamp:

Jun 24, 2010, 8:55:13 AM (14 years ago)

Author:

braffert

Message:

small changes to lammps dump file reader

File:

• trunk/gui/scripts/molvisviewer.tcl (modified) (2 diffs)

trunk/gui/scripts/molvisviewer.tcl

@@ -772 +772 @@
             # lammps dump file overwrites pdb file (change this?)
             set lammpstypemap [$dataobj get components.molecule.lammpstypemap]
-            if { "" != $lammpstypemap} {
-                set lammpstypemap [split $lammpstypemap " "]
-            }
             set lammpsdata [$dataobj get components.molecule.lammps]
             if {"" != $lammpsdata} {
@@ -795 +792 @@
                         } else {
                             set atom [lindex $lammpstypemap [expr $type - 1]]
+                            if { "" == $atom} {
+                              set atom $type
+                            }
                         }
                         set pdbline [format "%6s%5d %4s%1s%3s %1s%5s   %8.3f%8.3f%8.3f%6.2f%6.2f%8s\n" $recname $id $atom $altLoc $resName $chainID $Seqno $x $y $z $occupancy $tempFactor $recID]