source: src/Parameters/StreamOperators.hpp@ 0cd8cf

/*
 * StreamOperators.hpp
 *
 *  Created on: Apr 16, 2012
 *      Author: ankele, heber
 */

#ifndef STREAMOPERATORS_HPP_
#define STREAMOPERATORS_HPP_

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

#include <boost/tokenizer.hpp>
#include <string>
#include <sstream>
#include <iosfwd>

#include "LinearAlgebra/Vector.hpp"
#include "LinearAlgebra/RealSpaceMatrix.hpp"
#include "Box.hpp"
#include "Descriptors/AtomIdDescriptor.hpp"
#include "Descriptors/MoleculeIdDescriptor.hpp"
#include "Element/periodentafel.hpp"
#include "World.hpp"

#include "CodePatterns/Assert.hpp"

class atom;
class element;
class molecule;

/** Returns a single line from \a ist without leading and ending brackets.
 *
 * @param ist stream to get line from
 * @return line as string without ()
 */
inline std::string getLine(std::istream& ist)
{
  std::string line;
  getline(ist,line);

  if (!line.empty() && line[0] == '(')
    line.erase(0, 1);
  if (!line.empty() && line[line.size() - 1] == ')')
    line.erase(line.size() - 1, 1);

  return line;
}

inline std::istream& operator>>(std::istream& ist, Vector& m)
{
  std::string line = getLine(ist);

  // dissect by " " or ","
  ConvertTo<double> converter;
  std::vector<double> temp_vector;
  boost::char_separator<char> sep(", ");
  boost::tokenizer<boost::char_separator<char> > tok(line, sep);
  for(boost::tokenizer<boost::char_separator<char> >::const_iterator iter = tok.begin();
      iter != tok.end(); ++iter)
    temp_vector.push_back(converter(*iter));
  ASSERT (temp_vector.size() == (size_t)NDIM,
      "operator>>(std::istream& ist, Vector& m) - not "+toString((size_t)NDIM)+" but "
      +toString(temp_vector.size())+" components given.");
  for (size_t i=0;i<NDIM;++i)
    m[i] = temp_vector[i];
  return ist;
};

inline std::istream& operator>>(std::istream& ist, RealSpaceMatrix& m)
{
  std::string line = getLine(ist);

  // dissect by " " or ","
  ConvertTo<double> converter;
  std::vector<double> temp_vector;
  boost::char_separator<char> sep(", ");
  boost::tokenizer<boost::char_separator<char> > tok(line, sep);
  for(boost::tokenizer<boost::char_separator<char> >::const_iterator iter = tok.begin();
      iter != tok.end(); ++iter)
    temp_vector.push_back(converter(*iter));
  ASSERT (temp_vector.size() == (size_t)NDIM*(NDIM+1)/2,
      "operator>>(std::istream& ist, RealSpaceMatrix& m) - not "+toString((size_t)NDIM*((size_t)NDIM+1)/2)+" but "
      +toString(temp_vector.size())+" components given.");
  m.set(0,0, temp_vector[0]);
  m.set(0,1, temp_vector[1]);
  m.set(0,2, temp_vector[2]);
  m.set(1,0, temp_vector[1]);
  m.set(1,1, temp_vector[3]);
  m.set(1,2, temp_vector[4]);
  m.set(2,0, temp_vector[2]);
  m.set(2,1, temp_vector[4]);
  m.set(2,2, temp_vector[5]);
  return ist;
};

inline std::istream& operator>>(std::istream& ist, Box& m)
{
  RealSpaceMatrix M;
  ist >> M;
  m.setM(M);
  return ist;
};


inline std::istream& operator>>(std::istream& ist, const atom* & m)
{
  std::string line = getLine(ist);

  ConvertTo<unsigned int> converter;
  const atomId_t temp_value = converter(line);
  const atom *a = World::getInstance().getAtom(AtomById(temp_value));
  ASSERT( a != NULL,
      "operator>>(std::istream& ist, const atom* & m) - atom molecule id "
      +toString(temp_value)+".");
  m = a;
  return ist;
}

inline std::istream& operator>>(std::istream& ist, const molecule* & m)
{
  std::string line = getLine(ist);

  ConvertTo<unsigned int> converter;
  const moleculeId_t temp_value = converter(line);
  const molecule *mol = World::getInstance().getMolecule(MoleculeById(temp_value));
  ASSERT( mol != NULL,
      "operator>>(std::istream& ist, const molecule* & m) - invalid molecule id "
      +toString(temp_value)+".");
  m = mol;
  return ist;
}


inline std::istream& operator>>(std::istream& ist, const element* & m)
{
  std::string line = getLine(ist);

  ConvertTo<unsigned int> converter;
  const atomicNumber_t temp_value = converter(line);
  const element *elem = World::getInstance().getPeriode()->FindElement(temp_value);
  ASSERT( elem != NULL,
      "operator>>(std::istream& ist, const element* & m) - invalid atomic number "
      +toString(temp_value)+".");
  m = elem;
  return ist;
}


inline std::istream& operator>>(std::istream& ist, std::vector<const molecule*> & m)
{
  std::string line = getLine(ist);

  // dissect by " " or ","
  boost::char_separator<char> sep(", ");
  boost::tokenizer<boost::char_separator<char> > tok(line, sep);
  ConvertTo<unsigned int> converter;
  for(boost::tokenizer<boost::char_separator<char> >::const_iterator iter = tok.begin();
      iter != tok.end(); ++iter) {
    const moleculeId_t temp_value = converter(*iter);
    const molecule *mol = World::getInstance().getMolecule(MoleculeById(temp_value));
    ASSERT( mol != NULL,
        "operator>>(std::istream& ist, std::vector<const molecule*> & m) - invalid molecule id "
        +toString(temp_value)+".");
    m.push_back(mol);
  }
  return ist;
}


inline std::istream& operator>>(std::istream& ist, std::vector<const atom*> & m)
{
  std::string line = getLine(ist);

  // dissect by " " or ","
  boost::char_separator<char> sep(", ");
  boost::tokenizer<boost::char_separator<char> > tok(line, sep);
  ConvertTo<unsigned int> converter;
  for(boost::tokenizer<boost::char_separator<char> >::const_iterator iter = tok.begin();
      iter != tok.end(); ++iter) {
    const atomId_t temp_value = converter(line);
    const atom *a = World::getInstance().getAtom(AtomById(temp_value));
    ASSERT( a != NULL,
        "operator>>(std::istream& ist, std::vector<const atom*> & m) - invalid atom id "
        +toString(temp_value)+".");
    m.push_back(a);
  }
  return ist;
}

inline std::istream& operator>>(std::istream& ist, std::vector<const element*> & m)
{
  std::string line = getLine(ist);

  // dissect by " " or ","
  boost::char_separator<char> sep(", ");
  boost::tokenizer<boost::char_separator<char> > tok(line, sep);
  ConvertTo<unsigned int> converter;
  for(boost::tokenizer<boost::char_separator<char> >::const_iterator iter = tok.begin();
      iter != tok.end(); ++iter) {
    const atomicNumber_t temp_value = converter(*iter);
    const element *elem = World::getInstance().getPeriode()->FindElement(temp_value);
    ASSERT( elem != NULL,
        "operator>>(std::istream& ist, std::vector<const element*> & m) - invalid atomic number "
        +toString(temp_value)+".");
    m.push_back(elem);
  }
  return ist;
}


inline std::istream& operator>>(std::istream& ist, std::vector<std::string> & m)
{
  std::string line = getLine(ist);

  // dissect by " " or ","
  boost::char_separator<char> sep(", ");
  boost::tokenizer<boost::char_separator<char> > tok(line, sep);
  for(boost::tokenizer<boost::char_separator<char> >::const_iterator iter = tok.begin();
      iter != tok.end(); ++iter)
    m.push_back(*iter);
  return ist;
}

inline std::istream& operator>>(std::istream& ist, std::vector<unsigned int> & m)
{
  std::string line = getLine(ist);

  // dissect by " " or ","
  boost::char_separator<char> sep(", ");
  boost::tokenizer<boost::char_separator<char> > tok(line, sep);
  ConvertTo<unsigned int> converter;
  for(boost::tokenizer<boost::char_separator<char> >::const_iterator iter = tok.begin();
      iter != tok.end(); ++iter)
    m.push_back(converter(*iter));
  return ist;
}


#endif /* STREAMOPERATORS_HPP_ */