/* Portions copyright (c) 2014 Stanford University and Simbios. * Contributors: Peter Eastman * * Permission is hereby granted, free of charge, to any person obtaining * a copy of this software and associated documentation files (the * "Software"), to deal in the Software without restriction, including * without limitation the rights to use, copy, modify, merge, publish, * distribute, sublicense, and/or sell copies of the Software, and to * permit persons to whom the Software is furnished to do so, subject * to the following conditions: * * The above copyright notice and this permission notice shall be included * in all copies or substantial portions of the Software. * * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS * OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF * MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. * IN NO EVENT SHALL THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE * LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION * OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION * WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE. */ #include "CompiledExpressionSet.h" using namespace OpenMM; using namespace Lepton; using namespace std; CompiledExpressionSet::CompiledExpressionSet() { } void CompiledExpressionSet::registerExpression(Lepton::CompiledExpression& expression) { expressions.push_back(&expression); for (int i = 0; i < (int) variables.size(); i++) if (expression.getVariables().find(variables[i]) != expression.getVariables().end()) variableReferences[i].push_back(&expression.getVariableReference(variables[i])); } int CompiledExpressionSet::getVariableIndex(const std::string& name) { for (int i = 0; i < (int) variables.size(); i++) if (variables[i] == name) return i; int index = variables.size(); variables.push_back(name); variableReferences.push_back(vector()); for (int i = 0; i < (int) expressions.size(); i++) if (expressions[i]->getVariables().find(name) != expressions[i]->getVariables().end()) variableReferences[index].push_back(&expressions[i]->getVariableReference(name)); return index; } void CompiledExpressionSet::setVariable(int index, double value) { for (int i = 0; i < (int) variableReferences[index].size(); i++) *variableReferences[index][i] = value; }