/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015,2016, by the GROMACS development team, led by
+ * Copyright (c) 2015,2016,2017, 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.
{
generateReferenceTopology();
generateReferenceCoordinates();
- testTop_ = NULL;
- testX_ = NULL;
+ testTop_ = nullptr;
+ testX_ = nullptr;
clear_mat(testBox_);
referenceFilename_ =
fileManager_.getTemporaryFilePath(getFileSuffix("ref"));
}
~StructureIORoundtripTest()
{
- if (testTop_ != NULL)
+ if (testTop_ != nullptr)
{
done_top(testTop_);
sfree(testTop_);
void writeReferenceFile()
{
write_sto_conf(referenceFilename_.c_str(), *refTop_->name,
- &refTop_->atoms, as_rvec_array(refX_.data()), NULL, -1,
+ &refTop_->atoms, as_rvec_array(refX_.data()), nullptr, -1,
refBox_);
}
snew(testTop_, 1);
int ePBC = -2;
read_tps_conf(referenceFilename_.c_str(), testTop_,
- &ePBC, &testX_, NULL, testBox_, FALSE);
+ &ePBC, &testX_, nullptr, testBox_, FALSE);
}
void testTopologies()
void writeTestFileAndTest()
{
write_sto_conf(testFilename_.c_str(), *testTop_->name,
- &testTop_->atoms, testX_, NULL, -1, testBox_);
+ &testTop_->atoms, testX_, nullptr, -1, testBox_);
testFilesEqual(referenceFilename_, testFilename_);
}