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Comparing trunk/src/selection/SelectionEvaluator.hpp (file contents):
Revision 1412 by gezelter, Mon Mar 22 18:45:39 2010 UTC vs.
Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 UTC

# Line 35 | Line 35
35   *                                                                      
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).                        
38 > * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
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 73 | Line 74 | namespace OpenMD {
74      bool loadScriptFile(const std::string& filename);
75          
76      OpenMDBitSet evaluate();
77 +    OpenMDBitSet evaluate(int frame);
78          
79      /**
80       * Tests if the result from evaluation of script is dynamic.
# Line 117 | Line 119 | namespace OpenMD {
119          
120      void define();
121      void select(OpenMDBitSet& bs);
122 +    void select(OpenMDBitSet& bs, int frame);
123      void predefine(const std::string& script);
124  
125      void instructionDispatchLoop(OpenMDBitSet& bs);
126 +    void instructionDispatchLoop(OpenMDBitSet& bs, int frame);
127  
128      void withinInstruction(const Token& instruction, OpenMDBitSet& bs);
129 +    void withinInstruction(const Token& instruction, OpenMDBitSet& bs, int frame);
130 +    OpenMDBitSet allInstruction();
131          
132      OpenMDBitSet comparatorInstruction(const Token& instruction);
133 +    OpenMDBitSet comparatorInstruction(const Token& instruction, int frame);
134      void compareProperty(StuntDouble* sd, OpenMDBitSet& bs, int property, int comparator, float comparisonValue);
135 +    void compareProperty(StuntDouble* sd, OpenMDBitSet& bs, int property, int comparator, float comparisonValue, int frame);
136      OpenMDBitSet nameInstruction(const std::string& name);
137      OpenMDBitSet indexInstruction(const boost::any& value);
138      OpenMDBitSet expression(const std::vector<Token>& tokens, int pc);
139 +    OpenMDBitSet expression(const std::vector<Token>& tokens, int pc, int frame);
140  
141      OpenMDBitSet lookupValue(const std::string& variable);
142  
143      OpenMDBitSet hull();
144 +    OpenMDBitSet hull(int frame);
145          
146      void evalError(const std::string& message) {
147        sprintf( painCave.errMsg,
# Line 169 | Line 179 | namespace OpenMD {
179      bool containDynamicToken(const std::vector<Token>& tokens);
180  
181      RealType getCharge(Atom* atom);
182 +    RealType getCharge(Atom* atom, int frame);
183          
184      SelectionCompiler compiler;
185  
# Line 182 | Line 193 | namespace OpenMD {
193      std::vector<int> linenumbers;
194      std::vector<int> lineIndices;
195      std::vector<std::vector<Token> > aatoken;
196 <    int pc; // program counter
196 >    unsigned int pc; // program counter
197  
198      bool error;
199      std::string errorMessage;

Comparing trunk/src/selection/SelectionEvaluator.hpp (property svn:keywords):
Revision 1412 by gezelter, Mon Mar 22 18:45:39 2010 UTC vs.
Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 UTC

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

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