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/*! \internal \file
* \brief
* Tests utilities for fft calculations.
*
+ * Current reference data is generated in double precision using the Reference
+ * build type, except for the compiler (Apple Clang).
+ *
* \author Roland Schulz <roland@utk.edu>
* \ingroup module_fft
*/
+#include "gmxpre.h"
+
+#include "gromacs/fft/fft.h"
+
#include <vector>
#include <gtest/gtest.h>
-#include "gromacs/fft/fft.h"
#include "gromacs/fft/parallel_3dfft.h"
#include "gromacs/utility/stringutil.h"
+
#include "testutils/refdata.h"
+#include "testutils/testasserts.h"
namespace
{
class BaseFFTTest : public ::testing::Test
{
public:
- BaseFFTTest() : checker_(data_.rootChecker())
+ BaseFFTTest()
+ : checker_(data_.rootChecker()), flags_(GMX_FFT_FLAG_CONSERVATIVE)
{
+ // TODO: These tolerances are just something that has been observed
+ // to be sufficient to pass the tests. It would be nicer to
+ // actually argue about why they are sufficient (or what is).
+ checker_.setDefaultTolerance(
+ gmx::test::relativeToleranceAsPrecisionDependentUlp(10.0, 64, 512));
}
~BaseFFTTest()
{
gmx_fft_cleanup();
}
+
gmx::test::TestReferenceData data_;
gmx::test::TestReferenceChecker checker_;
std::vector<real> in_, out_;
+ int flags_;
};
class FFTTest : public BaseFFTTest
real* in = &in_[0];
real* out = &out_[0];
- gmx_fft_init_1d(&fft_, nx, 0);
+ gmx_fft_init_1d(&fft_, nx, flags_);
gmx_fft_1d(fft_, GMX_FFT_FORWARD, in, out);
checker_.checkSequenceArray(nx*2, out, "forward");
real* in = &in_[0];
real* out = &out_[0];
- gmx_fft_init_1d_real(&fft_, rx, 0);
+ gmx_fft_init_1d_real(&fft_, rx, flags_);
gmx_fft_1d_real(fft_, GMX_FFT_REAL_TO_COMPLEX, in, out);
checker_.checkSequenceArray(cx*2, out, "forward");
real* in = &in_[0];
real* out = &out_[0];
- gmx_fft_init_many_1d(&fft_, nx, N, 0);
+ gmx_fft_init_many_1d(&fft_, nx, N, flags_);
gmx_fft_many_1d(fft_, GMX_FFT_FORWARD, in, out);
checker_.checkSequenceArray(nx*2*N, out, "forward");
real* in = &in_[0];
real* out = &out_[0];
- gmx_fft_init_many_1d_real(&fft_, rx, N, 0);
+ gmx_fft_init_many_1d_real(&fft_, rx, N, flags_);
gmx_fft_many_1d_real(fft_, GMX_FFT_REAL_TO_COMPLEX, in, out);
checker_.checkSequenceArray(cx*2*N, out, "forward");
real* in = &in_[0];
real* out = &out_[0];
- gmx_fft_init_2d_real(&fft_, rx, ny, 0);
+ gmx_fft_init_2d_real(&fft_, rx, ny, flags_);
gmx_fft_2d_real(fft_, GMX_FFT_REAL_TO_COMPLEX, in, out);
checker_.checkSequenceArray(cx*2*ny, out, "forward");
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff