void verifyEvaluation(const string& expression, double expectedValue) {
map<string, CustomFunction*> customFunctions;
ParsedExpression parsed = Parser::parse(expression, customFunctions);
double value = parsed.evaluate();
ASSERT_EQUAL_TOL(expectedValue, value, 1e-10);
// Try optimizing it and make sure the result is still correct.
value = parsed.optimize().evaluate();
ASSERT_EQUAL_TOL(expectedValue, value, 1e-10);
// Create an ExpressionProgram and see if that also gives the same result.
ExpressionProgram program = parsed.createProgram();
value = program.evaluate();
ASSERT_EQUAL_TOL(expectedValue, value, 1e-10);
// Create a CompiledExpression and see if that also gives the same result.
CompiledExpression compiled = parsed.createCompiledExpression();
value = compiled.evaluate();
ASSERT_EQUAL_TOL(expectedValue, value, 1e-10);
}
void verifyEvaluation(const string& expression, double x, double y, double expectedValue) {
map<string, double> variables;
variables["x"] = x;
variables["y"] = y;
ParsedExpression parsed = Parser::parse(expression);
double value = parsed.evaluate(variables);
ASSERT_EQUAL_TOL(expectedValue, value, 1e-10);
// Try optimizing it and make sure the result is still correct.
value = parsed.optimize().evaluate(variables);
ASSERT_EQUAL_TOL(expectedValue, value, 1e-10);
// Try optimizing with predefined values for the variables.
value = parsed.optimize(variables).evaluate();
ASSERT_EQUAL_TOL(expectedValue, value, 1e-10);
// Create an ExpressionProgram and see if that also gives the same result.
ExpressionProgram program = parsed.createProgram();
value = program.evaluate(variables);
ASSERT_EQUAL_TOL(expectedValue, value, 1e-10);
// Create a CompiledExpression and see if that also gives the same result.
CompiledExpression compiled = parsed.createCompiledExpression();
if (compiled.getVariables().find("x") != compiled.getVariables().end())
compiled.getVariableReference("x") = x;
if (compiled.getVariables().find("y") != compiled.getVariables().end())
compiled.getVariableReference("y") = y;
value = compiled.evaluate();
ASSERT_EQUAL_TOL(expectedValue, value, 1e-10);
// Make sure that variable renaming works.
variables.clear();
variables["w"] = x;
variables["y"] = y;
map<string, string> replacements;
replacements["x"] = "w";
value = parsed.renameVariables(replacements).evaluate(variables);
ASSERT_EQUAL_TOL(expectedValue, value, 1e-10);
}
void ReferenceCustomDynamics::computePerDof(int numberOfAtoms, vector<RealVec>& results, const vector<RealVec>& atomCoordinates,
const vector<RealVec>& velocities, const vector<RealVec>& forces, const vector<RealOpenMM>& masses,
const vector<vector<RealVec> >& perDof, const CompiledExpression& expression) {
// Loop over all degrees of freedom.
for (int i = 0; i < numberOfAtoms; i++) {
if (masses[i] != 0.0) {
m = masses[i];
for (int j = 0; j < 3; j++) {
// Compute the expression.
x = atomCoordinates[i][j];
v = velocities[i][j];
f = forces[i][j];
uniform = SimTKOpenMMUtilities::getUniformlyDistributedRandomNumber();
gaussian = SimTKOpenMMUtilities::getNormallyDistributedRandomNumber();
for (int k = 0; k < (int) perDof.size(); k++)
perDofVariable[k] = perDof[k][i][j];
results[i][j] = expression.evaluate();
}
}
}
}
