xyzwriter.cc

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/*
 * Copyright 2009-2020 The VOTCA Development Team (http://www.votca.org)
 *
 * Licensed under the Apache License, Version 2.0 (the "License");
 * you may not use this file except in compliance with the License.
 * You may obtain a copy of the License at
 *
 *     http://www.apache.org/licenses/LICENSE-2.0
 *
 * Unless required by applicable law or agreed to in writing, software
 * distributed under the License is distributed on an "AS IS" BASIS,
 * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
 * See the License for the specific language governing permissions and
 * limitations under the License.
 *
 */
 
#include "../../../../include/votca/csg/xyzwriter.h"
#include <cstdio>
#include <string>
namespace votca {
namespace csg {
 
void XYZWriter::Open(std::string file, bool bAppend) {
  if (bAppend) {
    out_.open(file, std::ios_base::app);
  } else {
    out_.open(file);
  }
}
 
void XYZWriter::Close() { out_.close(); }
 
void XYZWriter::Write(Topology *conf) {
  std::string header = (boost::format("frame: %1$d time: %2$f\n") %
                        (conf->getStep() + 1) % conf->getTime())
                           .str();
  Write<Topology>(*conf, header);
}
}  // namespace csg
}  // namespace votca