crosscorrelate.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.
 *
 */
 
// Local VOTCA includes
#include "votca/tools/crosscorrelate.h"
 
namespace votca {
namespace tools {
 
void CrossCorrelate::AutoCorrelate(DataCollection<double>::selection& data) {
  Index N = data[0].size();
  Eigen::Map<Eigen::VectorXd> input(data[0].data(), N);
  Eigen::FFT<double> fft;
  Eigen::VectorXcd frequency = fft.fwd(input);
  Eigen::VectorXcd magnitude = frequency.cwiseAbs2();
 
  corrfunc_.resize(N);
  Eigen::Map<Eigen::VectorXd> corr_map(corrfunc_.data(), N);
  corr_map = fft.inv(magnitude);
  double d = corr_map(0);
  corr_map.array() /= d;
}
 
}  // namespace tools
}  // namespace votca