/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2014,2015, by the GROMACS development team, led by
+ * Copyright (c) 2014,2015,2016, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
static void TearDownTestCase()
{
-
sfree(tempArgs_);
tempArgs_ = NULL;
gmx_fft_cleanup();
}
- void test(unsigned long mode)
+ void test(unsigned long mode, bool bNormalize)
{
- bool bAverage = false;
- bool bNormalize = true;
+ bool bAverage = true;
bool bVerbose = false;
int nrRestart = 1;
int dim = getDim(mode);
effnNONE);
double testResult = 0;
- for (int i = 0; i < nrFrames_; i++)
+ for (int i = 0; i < get_acfnout(); i++)
{
testResult += result[i];
}
- checker_.checkSequenceArray(nrFrames_, ptr,
+ checker_.checkSequenceArray(get_acfnout(), ptr,
"AutocorrelationFunction");
checker_.checkReal(testResult, "Integral");
}
TEST_F (AutocorrTest, EacNormal)
{
- test(eacNormal);
+ test(eacNormal, true);
+}
+
+TEST_F (AutocorrTest, EacNoNormalize)
+{
+ test(eacNormal, false);
}
TEST_F (AutocorrTest, EacCos)
{
- test(eacCos);
+ test(eacCos, true);
}
TEST_F (AutocorrTest, EacVector)
{
- test(eacVector);
+ test(eacVector, true);
}
TEST_F (AutocorrTest, EacRcross)
{
- test(eacRcross);
+ test(eacRcross, true);
}
TEST_F (AutocorrTest, EacP0)
{
- test(eacP0);
+ test(eacP0, true);
}
TEST_F (AutocorrTest, EacP1)
{
- test(eacP1);
+ test(eacP1, true);
}
TEST_F (AutocorrTest, EacP2)
{
- test(eacP2);
+ test(eacP2, true);
}
TEST_F (AutocorrTest, EacP3)
{
- test(eacP3);
+ test(eacP3, true);
}
TEST_F (AutocorrTest, EacP4)
{
- test(eacP4);
+ test(eacP4, true);
}