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* |
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* Created by Xiuquan Sun on 05/09/06. |
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* @author Xiuquan Sun |
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* @version $Id: Hxy.cpp,v 1.2 2006-05-16 02:06:37 gezelter Exp $ |
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* @version $Id: Hxy.cpp,v 1.3 2006-05-16 20:38:23 gezelter Exp $ |
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* |
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*/ |
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#include<string.h> |
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#include<stdlib.h> |
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#include<math.h> |
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#ifndef WITHOUT_FFTW |
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#include<fftw3.h> |
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#endif |
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namespace oopse { |
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} |
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void Hxy::process() { |
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#ifndef WITHOUT_FFTW |
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#if defined(HAVE_FFTW_H) || defined(HAVE_DFFTW_H) || defined(HAVE_FFTW3_H) |
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DumpReader reader(info_, dumpFilename_); |
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int nFrames = reader.getNFrames(); |
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nProcessed_ = nFrames/step_; |
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reader.readFrame(istep); |
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currentSnapshot_ = info_->getSnapshotManager()->getCurrentSnapshot(); |
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nMolecules = info_->getNGlobalMolecules(); |
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Mat3x3d hmat = currentSnapshot_->getHmat(); |
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fftw_complex *in, *out; |
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#ifdef HAVE_FFTW3_H |
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fftw_plan p; |
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#else |
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fftwnd_plan p; |
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#endif |
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fftw_complex *in, *out; |
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in = (fftw_complex*) fftw_malloc(sizeof(fftw_complex) * (nBinsX_*nBinsY_)); |
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out = (fftw_complex*) fftw_malloc(sizeof(fftw_complex) *(nBinsX_*nBinsY_)); |
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p = fftw_plan_dft_2d(nBinsX_, |
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nBinsY_, |
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in, out, |
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FFTW_FORWARD, |
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FFTW_ESTIMATE); |
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#ifdef HAVE_FFTW3_H |
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p = fftw_plan_dft_2d(nBinsX_, nBinsY_, in, out, |
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FFTW_FORWARD, FFTW_ESTIMATE); |
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#else |
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p = fftw2d_create_plan(nBinsX_, nBinsY_, FFTW_FORWARD, FFTW_ESTIMATE); |
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#endif |
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int i, j; |
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c_im(in[newindex]) = 0.0; |
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} |
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} |
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fftw_execute(p); |
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#ifdef HAVE_FFTW3_H |
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fftw_execute(p); |
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#else |
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fftwnd_one(p, in, out); |
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#endif |
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for (i=0; i< nBinsX_; i++) { |
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for(j=0; j< nBinsY_; j++) { |
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mag[newindex] = pow(c_re(out[newindex]),2) + pow(c_im(out[newindex]),2); |
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} |
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} |
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#ifdef HAVE_FFTW3_H |
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fftw_destroy_plan(p); |
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#else |
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fftwnd_destroy_plan(p); |
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#endif |
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fftw_free(out); |
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fftw_free(in); |
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