Changeset 1010 for branches

Timestamp:

Sep 17, 2010 3:15:43 PM (13 years ago)

Author:

chlake

Message:

Fixed bug in SR_Write_Restraint Procedure

File:

• branches/sandbox/distrest.tcl (modified) (2 diffs)

branches/sandbox/distrest.tcl

@@ -478 +478 @@
         set sr_write ""
         set new_list ""
-        set len [llength $::sr_bond_list]
+#       set len [llength $::sr_bond_list]
         set ::sr_key_list ""
-        for {set i 0} {$i <= [expr $len-1]} {incr i} {
-            set temp [lindex $::sr_bond_list $i]
-            if {[string trim $::sr_restraintdist([lindex $temp 13])] != ""} {
+        foreach temp $::sr_bond_list  {
+puts $temp
+#       for {set i 0} {$i <= [expr $len-1]} {incr i} {}
+#           set temp [lindex $::sr_bond_list $i]
+
+           catch {
+            if {[string trim $::sr_restraintdist([lindex $temp 13])] != ""} {
                 set softrest "[lindex $temp 0] [lindex $temp 1] \
                                 [lindex $temp 2] [lindex $temp 3] [lindex $temp 4] \
@@ -489 +493 @@
                                 $::sr_restraintesd([lindex $temp 13])"
                 lappend sr_write $softrest
+puts $softrest
                 lappend new_list $temp
-
-                #                    } else {
-                #                           unset ::sr_restraintdist([lindex $temp 13])
-                #                           unset ::sr_restraintesd([lindex $temp 13])
             }
-        }
+            }
+        }
+#
         #puts $sr_write
         # put the entire restraint list back into the .EXP file