/*
* 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)
)
);
}