/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2009,2010,2011,2012,2013,2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
+ * Copyright (c) 2009,2010,2011,2012,2013 by the GROMACS development team.
+ * Copyright (c) 2014,2015,2016,2017,2018 by the GROMACS development team.
+ * Copyright (c) 2019,2020,2021, 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.
* This is the only function that user code should call if they want to
* evaluate a selection for a new frame.
*/
+// NOLINTNEXTLINE readability-convert-member-functions-to-static
void SelectionEvaluator::evaluate(SelectionCollection* coll, t_trxframe* fr, t_pbc* pbc)
{
gmx_ana_selcollection_t* sc = &coll->impl_->sc_;
* \param[in,out] coll The selection collection to evaluate.
* \param[in] nframes Total number of frames.
*/
+// NOLINTNEXTLINE readability-convert-member-functions-to-static
void SelectionEvaluator::evaluateFinal(SelectionCollection* coll, int nframes)
{
gmx_ana_selcollection_t* sc = &coll->impl_->sc_;
{
if (sel->flags & SEL_UNSORTED)
{
+ gmx_ana_index_reserve(sel->v.u.g, sel->u.cgrp.isize);
// This only works if g contains all the atoms, but that is currently
// the only supported case.
gmx_ana_index_copy(sel->v.u.g, &sel->u.cgrp, false);
expandValueForPositions(sel->v.u.r, &sel->v.nr, sel->u.expr.pos);
break;
default:
- GMX_RELEASE_ASSERT(false,
- "Unimplemented value type for position update method");
+ GMX_RELEASE_ASSERT(false, "Unimplemented value type for position update method");
}
}
}