/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015,2016,2017,2018,2019, by the GROMACS development team, led by
+ * Copyright (c) 2015,2016,2017,2018,2019,2020, 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.
#include "gromacs/fileio/filetypes.h"
#include "gromacs/math/vec.h"
#include "gromacs/math/vectypes.h"
+#include "gromacs/pbcutil/pbc.h"
#include "gromacs/topology/atoms.h"
#include "gromacs/topology/symtab.h"
#include "gromacs/topology/topology.h"
void writeReferenceFile()
{
write_sto_conf(referenceFilename_.c_str(), *refTop_->name, &refTop_->atoms,
- as_rvec_array(refX_.data()), nullptr, -1, refBox_);
+ as_rvec_array(refX_.data()), nullptr, PbcType::Unset, refBox_);
}
void readReferenceFileTps()
{
snew(testTop_, 1);
- int ePBC = -2;
- read_tps_conf(referenceFilename_.c_str(), testTop_, &ePBC, &testX_, nullptr, testBox_, FALSE);
+ PbcType pbcType = PbcType::Unset;
+ read_tps_conf(referenceFilename_.c_str(), testTop_, &pbcType, &testX_, nullptr, testBox_, FALSE);
}
void testTopologies()
void writeTestFileAndTest()
{
write_sto_conf(testFilename_.c_str(), *testTop_->name, &testTop_->atoms, testX_, nullptr,
- -1, testBox_);
+ PbcType::Unset, testBox_);
testFilesEqual(referenceFilename_, testFilename_);
}