[ViewVC] Log of: group/trunk/OOPSE-4/src/selection

Revision 3533 - Directory Listing - [select for diffs]
Modified Wed Oct 7 20:49:50 2009 UTC (16 years, 5 months ago) by cli2
Diff to previous 3520 , to selected 1972

Bug fixes in the SelectionEvaluator and SelectionCompiler
Added print option in Restraints

Revision 3520 - Directory Listing - [select for diffs]
Modified Mon Sep 7 16:31:51 2009 UTC (16 years, 6 months ago) by cli2
Diff to previous 2759 , to selected 1972

Added new restraint infrastructure
Added MolecularRestraints
Added ObjectRestraints
Added RestraintStamp
Updated thermodynamic integration to use ObjectRestraints
Added Quaternion mathematics for twist swing decompositions
Significantly updated RestWriter and RestReader to use dump-like files
Added selections for x, y, and z coordinates of atoms
Removed monolithic Restraints class
Fixed a few bugs in gradients of Euler angles in DirectionalAtom and RigidBody
Added some rotational capabilities to prinicpalAxisCalculator

Revision 2759 - Directory Listing - [select for diffs]
Modified Wed May 17 21:51:42 2006 UTC (19 years, 10 months ago) by tim
Diff to previous 2479 , to selected 1972

Adding single precision capabilities to c++ side

Revision 2479 - Directory Listing - [select for diffs]
Modified Fri Dec 2 20:34:09 2005 UTC (20 years, 4 months ago) by tim
Diff to previous 2469 , to selected 1972

adding SelectionToken.cpp

Revision 2469 - Directory Listing - [select for diffs]
Modified Fri Dec 2 15:38:03 2005 UTC (20 years, 4 months ago) by tim
Diff to previous 2204 , to selected 1972

End of the Link --> List
Return of the Oject-Oriented
replace yacc/lex parser with antlr parser

Revision 2204 - Directory Listing - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years, 11 months ago) by gezelter
Diff to previous 2191 , to selected 1972

xemacs has been drafted to perform our indentation services

Revision 2191 - Directory Listing - [select for diffs]
Modified Wed Apr 13 22:43:43 2005 UTC (20 years, 11 months ago) by tim
Diff to previous 2160 , to selected 1972

fix some warning messages

Revision 2160 - Directory Listing - [select for diffs]
Modified Mon Apr 11 20:16:50 2005 UTC (20 years, 11 months ago) by tim
Diff to previous 2147 , to selected 1972

change the parameter name in constructors

Revision 2147 - Directory Listing - [select for diffs]
Modified Tue Apr 5 23:09:48 2005 UTC (20 years, 11 months ago) by tim
Diff to previous 2116 , to selected 1972

support '+' and '-' in atom type name;clean the code a little bit

Revision 2116 - Directory Listing - [select for diffs]
Modified Fri Mar 11 15:00:20 2005 UTC (21 years ago) by tim
Diff to previous 2102 , to selected 1972

clean up SimInfo; modify the images of SelectionExpression.html

Revision 2102 - Directory Listing - [select for diffs]
Modified Thu Mar 10 16:14:07 2005 UTC (21 years ago) by tim
Diff to previous 2100 , to selected 1972

minor change

Revision 2100 - Directory Listing - [select for diffs]
Modified Wed Mar 9 18:48:14 2005 UTC (21 years ago) by tim
Diff to previous 2099 , to selected 1972

adding IndexFinder

Revision 2099 - Directory Listing - [select for diffs]
Modified Wed Mar 9 18:46:16 2005 UTC (21 years ago) by tim
Diff to previous 2097 , to selected 1972

fix compilation issue

Revision 2097 - Directory Listing - [select for diffs]
Modified Wed Mar 9 17:30:29 2005 UTC (21 years ago) by tim
Diff to previous 2042 , to selected 1972

adding IndexFinder which is used to select the molecules; Seperate ElectrostaticAtomTypesSectionParser into
ChargeAtomTypesSectionParser and MultipoleAtomTypesSectionParser;remove print dipole option from Dump2XYZ;

Revision 2042 - Directory Listing - [select for diffs]
Modified Thu Feb 17 15:18:36 2005 UTC (21 years, 1 month ago) by tim
Diff to previous 2037 , to selected 1972

The change of interface of BitSet cause a bug in SelectionEvaluation

Revision 2037 - Directory Listing - [select for diffs]
Modified Wed Feb 16 19:36:30 2005 UTC (21 years, 1 month ago) by tim
Diff to previous 2035 , to selected 1972

change the suffix of output files;fix the problem of counting in staticProps

Revision 2035 - Directory Listing - [select for diffs]
Modified Tue Feb 15 19:36:07 2005 UTC (21 years, 1 month ago) by tim
Diff to previous 2034 , to selected 1972

BlockSnapshotManager is using reference counting now

Revision 2034 - Directory Listing - [select for diffs]
Modified Tue Feb 15 17:49:58 2005 UTC (21 years, 1 month ago) by tim
Diff to previous 2033 , to selected 1972

replace std::make_pair by VariablesType::value_type to make Sun Compiler happy

Revision 2033 - Directory Listing - [select for diffs]
Modified Tue Feb 15 17:35:30 2005 UTC (21 years, 1 month ago) by tim
Diff to previous 2001 , to selected 1972

adding typedef to TokenMap, using TokenMapType::value_type instead of
std::make_pair to make Sun compiler happy

Revision 2001 - Directory Listing - [select for diffs]
Modified Sat Feb 12 20:09:28 2005 UTC (21 years, 1 month ago) by tim
Diff to previous 1999 , to selected 1972

adding SelectionManager.cpp

Revision 1999 - Directory Listing - [select for diffs]
Modified Fri Feb 11 22:39:03 2005 UTC (21 years, 1 month ago) by tim
Diff to previous 1987 , to selected 1972

adding beginSelected, nextSelected method to SelectionManager

Revision 1987 - Directory Listing - [select for diffs]
Modified Mon Feb 7 22:36:32 2005 UTC (21 years, 1 month ago) by tim
Diff to previous 1985 , to selected 1972

support select internal index selection, for example, select DMPC.3

Revision 1985 - Directory Listing - [select for diffs]
Modified Mon Feb 7 20:39:36 2005 UTC (21 years, 1 month ago) by chrisfen
Diff to previous 1984 , to selected 1972

selection librarys added

Revision 1984 - Directory Listing - [select for diffs]
Modified Mon Feb 7 20:31:50 2005 UTC (21 years, 1 month ago) by tim
Diff to previous 1982 , to selected 1972

adding Makefile

Revision 1982 - Directory Listing - [select for diffs]
Modified Mon Feb 7 20:06:00 2005 UTC (21 years, 1 month ago) by tim
Diff to previous 1979 , to selected 1972

forget to reset the pc which cause reevaluate return NULL

Revision 1979 - Directory Listing - [select for diffs]
Modified Mon Feb 7 19:13:18 2005 UTC (21 years, 1 month ago) by tim
Diff to previous 1972

selection library is working

Revision 1972 - Directory Listing - [selected]
Modified Fri Feb 4 22:39:26 2005 UTC (21 years, 1 month ago) by tim
Diff to previous 1971

half of the selection utility is working need to debug within keyword and atomproperty keyword

Revision 1971 - Directory Listing - [select for diffs]
Modified Fri Feb 4 05:42:49 2005 UTC (21 years, 1 month ago) by tim
Diff to previous 1968 , to selected 1972

selection library get built

Revision 1968 - Directory Listing - [select for diffs]
Modified Fri Feb 4 04:57:04 2005 UTC (21 years, 1 month ago) by tim
Diff to previous 1967 , to selected 1972

adding wildcard class; NameFinder is finished

Revision 1967 - Directory Listing - [select for diffs]
Modified Thu Feb 3 23:14:05 2005 UTC (21 years, 1 month ago) by tim
Diff to previous 1966 , to selected 1972

more work in selection library

Revision 1966 - Directory Listing - [select for diffs]
Modified Thu Feb 3 14:04:59 2005 UTC (21 years, 1 month ago) by tim
Diff to previous 1965 , to selected 1972

selection in progress

Revision 1965 - Directory Listing - [select for diffs]
Modified Wed Feb 2 23:13:11 2005 UTC (21 years, 2 months ago) by tim
Diff to previous 1963 , to selected 1972

selection library in progress, except SelectionEvaluator, other files are compiled

Revision 1963 - Directory Listing - [select for diffs]
Modified Wed Feb 2 12:51:25 2005 UTC (21 years, 2 months ago) by tim
Diff to previous 1962 , to selected 1972

add SelectionCompiler.cpp

Revision 1962 - Directory Listing - [select for diffs]
Modified Tue Feb 1 22:49:23 2005 UTC (21 years, 2 months ago) by tim
Diff to previous 1961 , to selected 1972

Selection in progress

Revision 1961 - Directory Listing - [select for diffs]
Added Tue Feb 1 06:55:00 2005 UTC (21 years, 2 months ago) by tim
Diff to selected 1972

adding selection library

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