void
OPCContactMap::initialise()
{
for (const shared_ptr<Topology>& plugPtr : Sim->topology)
if (std::dynamic_pointer_cast<TChain>(plugPtr))
chains.push_back(Cdata(static_cast<const TChain*>(plugPtr.get()),
plugPtr->getMolecules().front()->size()));
}
void
OPChainBondAngles::initialise()
{
for(const shared_ptr<Topology>& plugPtr : Sim->topology)
if (std::dynamic_pointer_cast<TChain>(plugPtr))
chains.push_back(Cdata(plugPtr->getID(), plugPtr->getMolecules().front()->size(),
binwidth));
}
chainID(ID)
{
BondLengths.resize(CL-1, magnet::math::Histogram<>(0.0001));
}
OPChainBondLength::OPChainBondLength(const dynamo::Simulation* tmp, const magnet::xml::Node&):
OPTicker(tmp,"ChainBondLength")
{}
void
OPChainBondLength::initialise()
{
BOOST_FOREACH(const shared_ptr<Topology>& plugPtr,
Sim->topology)
if (std::tr1::dynamic_pointer_cast<TChain>(plugPtr))
chains.push_back(Cdata(plugPtr->getID(), plugPtr->getMolecules().front()->size()));
}
void
OPChainBondLength::changeSystem(OutputPlugin* OPPlug)
{
std::swap(Sim, static_cast<OPChainBondLength*>(OPPlug)->Sim);
}
void
OPChainBondLength::ticker()
{
BOOST_FOREACH(Cdata& dat, chains)
BOOST_FOREACH(const shared_ptr<IDRange>& range,
Sim->topology[dat.chainID]->getMolecules())
if (range->size() > 2)
