source: src/Box_BoundaryConditions.cpp@ b4f72c

/*
 * Project: MoleCuilder
 * Description: creates and alters molecular systems
 * Copyright (C)  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 <http://www.gnu.org/licenses/>.
 */

/*
 * Box_BoundaryConditions.cpp
 *
 *  Created on: Jan 2, 2012
 *      Author: heber
 */

// include config.h
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif

#include "CodePatterns/MemDebug.hpp"

#include <boost/tokenizer.hpp>
#include <boost/algorithm/string/trim.hpp>
#include <iostream>
#include <string>

#include "Box_BoundaryConditions.hpp"

#include "CodePatterns/Assert.hpp"
#include "CodePatterns/Log.hpp"
#include "CodePatterns/Range.hpp"
#include "LinearAlgebra/defs.hpp"

/** Constructor of class BCContainer.
 *
 * Fills member BCContainer::ConverterBiMap and
 * BCContainer::ReConverterBiMap.
 */
BoundaryConditions::BCContainer::BCContainer()
{
  // fill static conversion maps when empty
  ASSERT(ConverterBiMap.size() == ReConverterBiMap.size(),
      "BCContainer::BoundaryConditions() - internal string<->enum maps differ in size.");
  if (ConverterBiMap.empty()) {
    // hither
    ConverterBiMap.insert( std::make_pair(BoundaryConditions::Wrap, std::string("Wrap")) );
    ConverterBiMap.insert( std::make_pair(BoundaryConditions::Bounce, std::string("Bounce")) );
    ConverterBiMap.insert( std::make_pair(BoundaryConditions::Ignore, std::string("Ignore")) );
    // thither
    ReConverterBiMap.insert( std::make_pair(std::string("Wrap"), BoundaryConditions::Wrap) );
    ReConverterBiMap.insert( std::make_pair(std::string("Bounce"), BoundaryConditions::Bounce) );
    ReConverterBiMap.insert( std::make_pair(std::string("Ignore"), BoundaryConditions::Ignore) );
  }
  ASSERT(ConverterBiMap.size() ==  (size_t)(BoundaryConditions::MAX_BoundaryCondition_t),
      "BCContainer::BoundaryConditions() - internal string<->enum map has not the same number of elements "
      +toString(ConverterBiMap.size())+" as the enum "
      +toString((size_t)(MAX_BoundaryCondition_t))+".");

  // fill us with default values
  resize(NDIM, BoundaryConditions::Wrap);
}

/** Destructor of class BCContainer.
 *
 */
BoundaryConditions::BCContainer::~BCContainer()
{
  ConverterBiMap.clear();
  ReConverterBiMap.clear();
}

/** Getter for a all boundary conditions.
 *
 * @return vector with the boundary conditions
 */
const BoundaryConditions::Conditions_t & BoundaryConditions::BCContainer::get() const
{
  return (*this);
}

/** Getter for the boundary condition of a specific axis.
 *
 * @param index axis
 * @return boundary condition of this axis.
 */
const BoundaryConditions::BoundaryCondition_t BoundaryConditions::BCContainer::get(size_t index) const
{
#ifndef NDEBUG
  range<size_t> AllowedRange(0, this->size());
  ASSERT(AllowedRange.isInRange(index),
      "BCContainer::get() - index "+toString(index)+" out of bounds "
      +toString(AllowedRange)+".");
#endif
  return operator[](index);
}

/** Setter for all boundary conditions.
 *
 * @param _conditions vector with all conditions to set.
 */
void BoundaryConditions::BCContainer::set(const BoundaryConditions::Conditions_t &_conditions)
{
  ASSERT(_conditions.size() == this->size(),
      "BCContainer::set() - given vector of conditions and this have unequal size.");
  for (size_t i = 0; i < _conditions.size(); ++i)
    (*this)[i] = _conditions[i];
}

void BoundaryConditions::BCContainer::set(const std::vector< std::string > &_conditions)
{
  BoundaryConditions::Conditions_t newconditions;
  for (std::vector< std::string >::const_iterator iter = _conditions.begin();
      iter != _conditions.end(); ++iter)
    newconditions.push_back(getEnum(*iter));
  set(newconditions);
}

void BoundaryConditions::BCContainer::set(size_t index, const BoundaryConditions::BoundaryCondition_t _condition)
{
#ifndef NDEBUG
  range<size_t> AllowedRange(0, this->size());
  ASSERT(AllowedRange.isInRange(index),
      "BCContainer::set() - index "+toString(index)+" out of bounds "
      +toString(AllowedRange)+".");
#endif
  (*this)[index] = _condition;
}

void BoundaryConditions::BCContainer::set(size_t index, const std::string &_condition)
{
  set(index, getEnum(_condition));
}

/** Converter from enum to string.
 *
 * @param condition enum
 * @return name of the num
 */
const std::string & BoundaryConditions::BCContainer::getName(const BoundaryConditions::BoundaryCondition_t &condition) const
{
  ASSERT( ((condition >= (BoundaryConditions::BoundaryCondition_t)0) && (condition < BoundaryConditions::MAX_BoundaryCondition_t)),
      "BCContainer::getName() - enum "+toString(condition)+" is not a valid enum.");
  EnumToStringMap::const_iterator iter = ConverterBiMap.find(condition);
  ASSERT(iter != ConverterBiMap.end(),
      "BCContainer::getName() - enum "+toString(condition)+" is unknown for any enum name.");
  return iter->second;
}

/** Converter from string to enum.
 *
 * @param condition name of the condition
 * @return enum index
 */
const BoundaryConditions::BoundaryCondition_t & BoundaryConditions::BCContainer::getEnum(const std::string &condition) const
{
  StringToEnumMap::const_iterator iter = ReConverterBiMap.find(condition);
  ASSERT( iter != ReConverterBiMap.end(),
      "BCContainer::getEnum() - name "+condition+" is unknown for any enum.");
  return iter->second;
}

/** Output routine for class BCContainer to stream.
 *
 * @param out stream to print to
 * @param t instance of BCContainer.
 * @return stream for concatenation
 */
std::ostream &operator<<(std::ostream &out, const BoundaryConditions::BCContainer &t)
{
  for (BoundaryConditions::BCContainer::const_iterator iter = t.begin(); iter != t.end(); ++iter) {
    if (iter != t.begin())
      out << " ";
    out << t.getName(*iter);
  }
  return out;
}

/** Input routine for class BCContainer from stream.
 *
 *  We expect input as comma-separated list with NDIM values.
 *
 * @param in input stream
 * @param t instance of BCContainer to set
 * @return input stream for concatenation
 */
std::istream &operator>>(std::istream &in, BoundaryConditions::BCContainer &t)
{
  // read from stream till semicolon or end
  std::stringbuf sbuf;
  in.get(sbuf, ';');

  // tokenize
  typedef boost::tokenizer< boost::char_separator<char> > tokens;
  BoundaryConditions::Conditions_t conditions;
  boost::char_separator<char> commasep(", ");
  // it is imperative to copy the content of the stringbuffer, otherwise we'll
  // get strange bug where 'Wrap' != 'Wrap' and so on.
  std::string line(sbuf.str());
  tokens tok(line, commasep);
  for(tokens::iterator iter=tok.begin(); iter!=tok.end();++iter) {
    // remove leading and trailing white space
    std::string condition(*iter);
    boost::trim(condition);
    conditions.push_back(t.getEnum(condition));
  }

  // set
  t.set(conditions);

  return in;
}