/* * Project: MoleCuilder * Description: creates and alters molecular systems * Copyright (C) 2014 Frederik Heber. 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 . */ /* * ShapeSurfaceFillerPreparator.cpp * * Created on: Sep 3, 2014 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include "CodePatterns/MemDebug.hpp" #include "ShapeSurfaceFillerPreparator.hpp" #include #include #include "Filling/Mesh/Mesh.hpp" #include "Filling/Mesh/MeshAdaptor.hpp" #include "Filling/Inserter/Inserter.hpp" #include "Filling/Inserter/SurfaceInserter.hpp" #include "Filling/Inserter/SurfaceRandomInserter.hpp" #include "Shapes/Shape.hpp" ShapeSurfaceFillerPreparator::ShapeSurfaceFillerPreparator(molecule *_filler) : BaseFillerPreparator(_filler) {} ShapeSurfaceFillerPreparator::~ShapeSurfaceFillerPreparator() {} void ShapeSurfaceFillerPreparator::addShapeMesh( const Shape &_shape, const unsigned int _nodes) { MeshAdaptor::function_t fct = boost::bind(&Shape::getHomogeneousPointsOnSurface, boost::cref(_shape), _nodes); mesh = new MeshAdaptor(fct); } void ShapeSurfaceFillerPreparator::addSurfaceInserter( const Shape &_shape, const Vector &_alignedaxis ) { inserter = new Inserter( Inserter::impl_ptr(new SurfaceInserter( _shape, _alignedaxis) ) ); } void ShapeSurfaceFillerPreparator::addSurfaceRandomInserter( const Shape &_shape, const Vector &_alignedaxis, const double _MaxAtomComponent, const double _MaxMoleculeComponent ) { inserter = new Inserter( Inserter::impl_ptr(new SurfaceRandomInserter( _shape, _alignedaxis, _MaxAtomComponent, _MaxMoleculeComponent) ) ); }