ExampleMeasureActualStepSize.cpp File Reference

#include "SimTKmolmodel.h"
#include "SimTKsimbody_aux.h"
#include <fstream>
#include <iostream>
#include <exception>

Classes
class	WritePdbReporter
Functions
void	integrate (Real accuracy, BondMobility::Mobility mobility, int integratorIndex, std::ostream &os)
int	main ()

---

Function Documentation

void integrate	(	Real	accuracy,
		BondMobility::Mobility	mobility,
		int	integratorIndex,
		std::ostream &	os
	)

References WritePdbReporter::addCompound(), CompoundSystem::adoptCompound(), Biopolymer::assignBiotypes(), b, SimTK::BondMobility::Free, DuMMForceFieldSubsystem::getForceEvaluationCount(), Integrator::getMethodName(), Compound::getNBonds(), Integrator::getPreviousStepSizeTaken(), TimeStepper::getTime(), TimeStepper::initialize(), DuMMForceFieldSubsystem::loadAmber99Parameters(), CompoundSystem::modelCompounds(), SimTK::BondMobility::Rigid, Integrator::setAccuracy(), Compound::setBondMobility(), Compound::setPdbChainId(), TimeStepper::setReportAllSignificantStates(), Integrator::setReturnEveryInternalStep(), SimTK::sort(), TimeStepper::stepTo(), and SimTK::BondMobility::Torsion.

Referenced by main().

int main

(

void

)

References SimTK::BondMobility::Free, integrate(), SimTK::BondMobility::Rigid, and SimTK::BondMobility::Torsion.