edge case bug
fixed a bug preventing generation of helpful error messages in response to non-sensical user input (eg "@atom:"). The previous version would crash with an uncaught exception when presented with this input:
write_once("In Settings") {
pair_coeff @atom:WallParticle/W @atom:
}
Molecule {
write("Data Atoms") {
$atom:w $mol:. @atom:W 0.0 0.0 0.0 0.0
}
}
(The syntax error in this example is on line 2. The new version of ttree.py and moltemplate.sh generate error messages instead of crashing.)