Changeset 37a050 for molecuilder/src/molecules.hpp

Timestamp:

Apr 8, 2009, 11:35:42 AM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

bb12e7

Parents:

d618b5

Message:

fixes due to changes in molecule structure (Center...()) and merge submenu is done.

• CenterAtoms(): CenterOrigin() and CenterGravity/Periodic() now don't need vector as parameter anymore
• ManipulateAtoms() & ManipulateMolecules(): check for number of ActiveFlag molecules was >0, should have been >1, also all ListRunner loops did non check whether the molecule to work on was actually set molecule::ActiveFlag true
• EditMolecules(): title was non-caps, loading would use Center instead of center, loops asking for index of molecule would loop endlessly due to wrong break condition, remove did falsely use counter instead of molecule::IndexNr
• MergeMolecules(): simple add, simple merge and multi-merge are implemented
• SaveConfig(): Translation to true center before save was missing (and back-translation) and filename instead of ConfigFileName is used
• ParseCommandLineOptions(): new molecule is not set to Active, fix due to ConfigFileName pointing nowhere when none given on command line (argv[1] NULL)
• main(): ConfigFileName is now a char buffer not char pointer due to trouble with NULL filename, setting of actiive flag corrected (counter instead of IndexNr bug)

(No files)