Ignore:
Timestamp:
Sep 27, 2011 11:35:12 AM (10 years ago)
Author:
toby
Message:

fix RB where atoms are missing in sequence; turn of X flag when atoms are added to a RB; put 'r' on RB atoms in listbox; doc 'r'

File:
1 edited

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  • branches/sandbox/expgui

    r1172 r1173  
    13331333}
    13341334
    1335 # format a coordinate from a non-mm phase as 10 chars; mark fixed coordinates differently
     1335# format a coordinate from a non-mm phase as 10 chars; mark fixed
     1336# and Rigid body coordinates differently
    13361337proc ShowFixAtom {phase atom var} {
    1337   # is this fixed?
    1338   set param [string toupper $var]
    1339   if {[array name ::fix_param "$phase,$atom,$param"] != ""} {
    1340     return [format "%9.5fF" [atominfo $phase $atom $var]]
    1341   } else {
     1338    # is this fixed?
     1339    set param [string toupper $var]
     1340    if {[array name ::fix_param "$phase,$atom,$param"] != ""} {
     1341        return [format "%9.5fF" [atominfo $phase $atom $var]]
     1342    }
     1343    # is this atom in a rigid body?
     1344    if {[lsearch $::expmap(rbatoms_$phase) $atom] != -1} {
     1345        return [format "%9.5fr" [atominfo $phase $atom $var]]
     1346    }
    13421347    return [format "%10.6f" [atominfo $phase $atom $var]]
    1343   }
    13441348}
    13451349
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