/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2013, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014, 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.
* \author Teemu Murtola <teemu.murtola@gmail.com>
* \ingroup module_selection
*/
+#include "gmxpre.h"
+
#include "toputils.h"
#include <cstring>
-#include "gromacs/legacyheaders/smalloc.h"
-#include "gromacs/legacyheaders/string2.h"
-#include "gromacs/legacyheaders/typedefs.h"
-#include "gromacs/legacyheaders/vec.h"
-
#include "gromacs/fileio/tpxio.h"
+#include "gromacs/fileio/trx.h"
#include "gromacs/fileio/trxio.h"
+#include "gromacs/math/vec.h"
+#include "gromacs/topology/atoms.h"
+#include "gromacs/topology/topology.h"
#include "gromacs/utility/gmxassert.h"
+#include "gromacs/utility/smalloc.h"
#include "testutils/testfilemanager.h"
atomtypes_.reserve(count);
for (int i = 0; i < count; ++i)
{
- atomtypes_.push_back(strdup(types[i]));
+ atomtypes_.push_back(gmx_strdup(types[i]));
}
snew(top_->atoms.atomtype, top_->atoms.nr);
for (int i = 0, j = 0; i < top_->atoms.nr; ++i, ++j)