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root/OpenMD/trunk/src/selection/SelectionEvaluator.hpp

Comparing trunk/src/selection/SelectionEvaluator.hpp (file contents):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1801 by gezelter, Mon Oct 1 18:21:15 2012 UTC

#	Line 36 | Line 36
36		* [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37		* [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38		* [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
39	<	* [4]  Vardeman & Gezelter, in progress (2009).
39	>	* [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40	>	* [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41		*/
42
43		#ifndef SELECTION_SELECTIONEVALUATOR_HPP
#	Line 52 | Line 53
53		#include "selection/SelectionCompiler.hpp"
54		#include "selection/NameFinder.hpp"
55		#include "selection/DistanceFinder.hpp"
56	+	#include "selection/HullFinder.hpp"
57		#include "selection/IndexFinder.hpp"
58		#include "utils/OpenMDBitSet.hpp"
59		#include "primitives/StuntDouble.hpp"
#	Line 121 | Line 123 | namespace OpenMD {
123		void instructionDispatchLoop(OpenMDBitSet& bs);
124
125		void withinInstruction(const Token& instruction, OpenMDBitSet& bs);
126	+	OpenMDBitSet allInstruction();
127
128		OpenMDBitSet comparatorInstruction(const Token& instruction);
129		void compareProperty(StuntDouble* sd, OpenMDBitSet& bs, int property, int comparator, float comparisonValue);
#	Line 129 | Line 132 | namespace OpenMD {
132		OpenMDBitSet expression(const std::vector<Token>& tokens, int pc);
133
134		OpenMDBitSet lookupValue(const std::string& variable);
135	+
136	+	OpenMDBitSet hull();
137
138		void evalError(const std::string& message) {
139		sprintf( painCave.errMsg,
#	Line 179 | Line 184 | namespace OpenMD {
184		std::vector<int> linenumbers;
185		std::vector<int> lineIndices;
186		std::vector<std::vector<Token> > aatoken;
187	<	int pc; // program counter
187	>	unsigned int pc; // program counter
188
189		bool error;
190		std::string errorMessage;
#	Line 190 | Line 195 | namespace OpenMD {
195		SimInfo* info;
196		NameFinder nameFinder;
197		DistanceFinder distanceFinder;
198	+	HullFinder hullFinder;
199		IndexFinder indexFinder;
200		int nStuntDouble;   //nGLOBALatoms + nGLOBALrigidbodies
201

Comparing trunk/src/selection/SelectionEvaluator.hpp (property svn:keywords):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1801 by gezelter, Mon Oct 1 18:21:15 2012 UTC

#	Line 0 | Line 1
1	+	Author Id Revision Date

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