#
# ChangeLog for /src/xtalopt/structures/molecularxtal.cpp
# 
# Generated by Trac 0.11.7
# 05/21/13 01:56:16
 
Fri, 20 Apr 2012 18:09:48 GMT David C. Lonie <loniedavid@…> [06f244abd607a7c31b6ed64e2a2c378638e727d2]
	* src/gapc/ui/tab_plot.cpp (modified)
	* src/gapc/ui/tab_progress.cpp (modified)
	* src/globalsearch/optbase.cpp (modified)
	* src/globalsearch/optbase.h (modified)
	* src/globalsearch/queuemanager.cpp (modified)
	* src/globalsearch/queuemanager.h (modified)
	* src/globalsearch/structure.cpp (modified)
	* src/globalsearch/structure.h (modified)
	* src/globalsearch/ui/abstractedittab.h (modified)
	* src/globalsearch/ui/defaultedittab.cpp (modified)
	* src/globalsearch/ui/defaultedittab.ui (modified)
	* src/randomdock/ui/tab_plot.cpp (modified)
	* src/randomdock/ui/tab_progress.cpp (modified)
	* src/xtalopt/CMakeLists.txt (modified)
	* src/xtalopt/structures/molecularxtal.cpp (modified)
	* src/xtalopt/structures/molecularxtal.h (modified)
	* src/xtalopt/structures/xtal.cpp (modified)
	* src/xtalopt/testing/xtalopttest.cpp (modified)
	* src/xtalopt/ui/mxtalpreoptconfigdialog.cpp (added)
	* src/xtalopt/ui/mxtalpreoptconfigdialog.h (added)
	* src/xtalopt/ui/mxtalpreoptconfigdialog.ui (added)
	* src/xtalopt/ui/tab_edit.cpp (modified)
	* src/xtalopt/ui/tab_edit.h (modified)
	* src/xtalopt/ui/tab_plot.cpp (modified)
	* src/xtalopt/ui/tab_progress.cpp (modified)
	* src/xtalopt/xtalopt.cpp (modified)
	* src/xtalopt/xtalopt.h (modified)

	Added a preoptimization queue for MolecularXtals.


Fri, 20 Apr 2012 18:08:47 GMT David C. Lonie <loniedavid@…> [c74905146224aca2561021b2a62fd76b1a953c5f]
	* src/globalsearch/optbase.cpp (modified)
	* src/globalsearch/queuemanager.cpp (modified)
	* src/globalsearch/structure.cpp (modified)
	* src/globalsearch/structure.h (modified)
	* src/xtalopt/structures/molecularxtal.cpp (modified)
	* src/xtalopt/structures/xtal.cpp (modified)
	* src/xtalopt/structures/xtal.h (modified)
	* src/xtalopt/xtalopt.cpp (modified)

	Added a lookup table to map optimizer indices to molecule indices.


Fri, 20 Apr 2012 18:08:45 GMT David C. Lonie <loniedavid@…> [765823687709e2ae5f572a5c5ad94322a045998f]
	* src/xtalopt/CMakeLists.txt (modified)
	* src/xtalopt/structures/molecularxtal.cpp (added)
	* src/xtalopt/structures/molecularxtal.h (added)
	* src/xtalopt/structures/submolecule.cpp (added)
	* src/xtalopt/structures/submolecule.h (added)
	* src/xtalopt/structures/submoleculesource.cpp (added)
	* src/xtalopt/structures/submoleculesource.h (added)
	* src/xtalopt/structures/xtal.cpp (modified)
	* src/xtalopt/structures/xtal.h (modified)
	* tests/CMakeLists.txt (modified)
	* tests/molecularxtaltest.cpp (added)
	* tests/sampledata/cmls/urea.cml (added)
	* tests/submoleculesourcetest.cpp (added)
	* tests/submoleculetest.cpp (added)

	Initial version of MolecularXtal, SubMolecule, and SMSource.