Changeset 1003 for branches/sandbox


Ignore:
Timestamp:
Sep 15, 2010 12:22:14 PM (10 years ago)
Author:
chlake
Message:

Fixed bugs in ::sr_restraintdist and ::sr_lookuplist variables.

File:
1 edited

Legend:

Unmodified
Added
Removed
  • branches/sandbox/distrest.tcl

    r1002 r1003  
    357357          set type2 [lindex [split $type2 {+-}] 0]
    358358
    359           lappend new_restraint [lindex $temp_res1 0] [lindex $temp_res1 1] \
     359          lappend new_restraint [lindex $temp_res1 0] [lindex $temp_res1 1] \
    360360                  [lindex $temp_res1 2] [lindex $temp_res1 3] [lindex $temp_res1 4] \
    361361                  [lindex $temp_res1 5] [lindex $temp_res1 6] [lindex $temp_res1 7] \
     
    363363                  [atominfo 1 [lindex $temp_res1 1] label] [atominfo 1 [lindex $temp_res1 2] label] \
    364364                  $t2
    365 
    366           set ::sr_restraintdist($t2) [lindex $temp_res1 8]
    367           set ::sr_restraintesd($t2) [lindex $temp_res1 9]
     365          set x [llength $::sr_bond_list]
     366          lappend ::sr_lookuplist1($type1) $x
     367          lappend ::sr_lookuplist2($type2) $x
    368368          lappend ::sr_bond_list $new_restraint
    369369        }
     370        set ::sr_restraintdist($t2) [lindex $temp_res1 8]
     371        set ::sr_restraintesd($t2) [lindex $temp_res1 9]
     372
     373
     374
    370375# if $t2 not in ::sr_bond_list need to add to sr_bond_list and ::sr_lookuplist1/2
    371376    }
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