/*
* Project: MoleCuilder
* Description: creates and alters molecular systems
* Copyright (C) 2010-2012 University of Bonn. All rights reserved.
*
*
* This file is part of MoleCuilder.
*
* MoleCuilder is free software: you can redistribute it and/or modify
* it under the terms of the GNU General Public License as published by
* the Free Software Foundation, either version 2 of the License, or
* (at your option) any later version.
*
* MoleCuilder 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 General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with MoleCuilder. If not, see .
*/
/*
* NonConvexEnvelopeAction.cpp
*
* Created on: May 10, 2010
* Author: heber
*/
// include config.h
#ifdef HAVE_CONFIG_H
#include
#endif
//#include "CodePatterns/MemDebug.hpp"
#include "CodePatterns/Log.hpp"
#include "LinkedCell/linkedcell.hpp"
#include "LinkedCell/PointCloudAdaptor.hpp"
#include "molecule.hpp"
#include "Tesselation/boundary.hpp"
#include "Tesselation/tesselation.hpp"
#include "World.hpp"
#include
#include
#include "Actions/TesselationAction/NonConvexEnvelopeAction.hpp"
using namespace MoleCuilder;
// and construct the stuff
#include "NonConvexEnvelopeAction.def"
#include "Action_impl_pre.hpp"
/** =========== define the function ====================== */
ActionState::ptr TesselationNonConvexEnvelopeAction::performCall() {
molecule * Boundary = NULL;
bool Success = false;
clock_t start,end;
for (World::MoleculeSelectionIterator iter = World::getInstance().beginMoleculeSelection(); iter != World::getInstance().endMoleculeSelection(); ++iter) {
Boundary = iter->second;
class Tesselation *T = NULL;
const LinkedCell_deprecated *LCList = NULL;
LOG(0, "Evaluating non-convex envelope of molecule." << Boundary->getId());
LOG(1, "Using rolling ball of radius " << params.SphereRadius.get() << " and storing tecplot data in " << params.filename.get() << ".");
LOG(1, "Specified molecule has " << Boundary->getAtomCount() << " atoms.");
start = clock();
PointCloudAdaptor< molecule > cloud(Boundary, Boundary->name);
LCList = new LinkedCell_deprecated(cloud, params.SphereRadius.get()*2.);
Success = FindNonConvexBorder(Boundary, T, LCList, params.SphereRadius.get(), params.filename.get().string().c_str());
//FindDistributionOfEllipsoids(T, &LCList, N, number, params.filename.get().c_str());
end = clock();
LOG(0, "Clocks for this operation: " << (end-start) << ", time: " << ((double)(end-start)/CLOCKS_PER_SEC) << "s.");
delete(LCList);
delete(T);
}
if (Success)
return Action::success;
else
return Action::failure;
}
ActionState::ptr TesselationNonConvexEnvelopeAction::performUndo(ActionState::ptr _state) {
// TesselationNonConvexEnvelopeState *state = assert_cast(_state.get());
// string newName = state->mol->getName();
// state->mol->setName(state->lastName);
STATUS("Undo of TesselationNonConvexEnvelopeAction not implemented.");
return Action::failure;
}
ActionState::ptr TesselationNonConvexEnvelopeAction::performRedo(ActionState::ptr _state){
// Undo and redo have to do the same for this action
return performUndo(_state);
}
bool TesselationNonConvexEnvelopeAction::canUndo() {
return false;
}
bool TesselationNonConvexEnvelopeAction::shouldUndo() {
return false;
}
/** =========== end of function ====================== */