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Marco Biasini authoredMarco Biasini authored
torsion_impl.cc 2.22 KiB
//------------------------------------------------------------------------------
// This file is part of the OpenStructure project <www.openstructure.org>
//
// Copyright (C) 2008-2011 by the OpenStructure authors
//
// This library is free software; you can redistribute it and/or modify it under
// the terms of the GNU Lesser General Public License as published by the Free
// Software Foundation; either version 3.0 of the License, or (at your option)
// any later version.
// This library is distributed in the hope that it will be useful, but WITHOUT
// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more
// details.
//
// You should have received a copy of the GNU Lesser General Public License
// along with this library; if not, write to the Free Software Foundation, Inc.,
// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
//------------------------------------------------------------------------------
#include <ost/log.hh>
#include <ost/mol/impl/torsion_impl.hh>
#include <ost/mol/impl/connector_impl.hh>
#include <ost/mol/impl/atom_impl.hh>
#include <ost/mol/entity_visitor.hh>
#include <ost/mol/residue_handle.hh>
#include <ost/mol/torsion_handle.hh>
#include <ost/mol/impl/entity_impl.hh>
namespace ost { namespace mol { namespace impl {
using namespace geom;
TorsionImpl::TorsionImpl(const String& name, const AtomImplPtr& a1,
const AtomImplPtr& a2,
const AtomImplPtr& a3,
const AtomImplPtr& a4)
: Dihedral(a1, a2, a3, a4), name_(name) {
}
const String& TorsionImpl::GetName() const {
return name_;
}
Real TorsionImpl::GetAngle() const {
if (this->GetFirst()->GetEntity()->IsXCSDirty()) {
return this->GetAngleICS();
} else {
return this->GetAngleXCS();
}
}
void TorsionImpl::SetAngle(Real angle, bool up) {
this->SetAngleICS(angle, true);
}
void TorsionImpl::Apply(EntityVisitor& v) {
LOG_TRACE("visitor @" << &v << " visiting torsion impl @" << this);
v.VisitTorsion(TorsionHandle(shared_from_this()));
}
void TorsionImpl::RotateAngle(Real angle, bool up) {
this->SetAngle(this->GetAngleICS()+angle, up);
}
}}} // ns