/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2014,2015, by the GROMACS development team, led by
+ * Copyright (c) 2014,2015,2019, 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.
*/
//! Test fixture for the select analysis module.
-typedef gmx::test::TrajectoryAnalysisModuleTestFixture<gmx::analysismodules::PairDistanceInfo>
- PairDistanceModuleTest;
+typedef gmx::test::TrajectoryAnalysisModuleTestFixture<gmx::analysismodules::PairDistanceInfo> PairDistanceModuleTest;
TEST_F(PairDistanceModuleTest, ComputesAllDistances)
{
- const char *const cmdline[] = {
- "pairdist",
- "-ref", "resindex 1", "-refgrouping", "none",
- "-sel", "resindex 3", "-selgrouping", "none"
- };
+ const char* const cmdline[] = { "pairdist", "-ref", "resindex 1",
+ "-refgrouping", "none", "-sel",
+ "resindex 3", "-selgrouping", "none" };
setTopology("simple.gro");
setOutputFile("-o", ".xvg", NoTextMatch());
runTest(CommandLine(cmdline));
TEST_F(PairDistanceModuleTest, ComputesAllDistancesWithCutoff)
{
- const char *const cmdline[] = {
- "pairdist",
- "-ref", "resindex 1", "-refgrouping", "none",
- "-sel", "resindex 3", "-selgrouping", "none",
- "-cutoff", "1.5"
- };
+ const char* const cmdline[] = { "pairdist", "-ref", "resindex 1", "-refgrouping",
+ "none", "-sel", "resindex 3", "-selgrouping",
+ "none", "-cutoff", "1.5" };
setTopology("simple.gro");
setOutputFile("-o", ".xvg", NoTextMatch());
runTest(CommandLine(cmdline));
TEST_F(PairDistanceModuleTest, ComputesMinDistanceWithCutoff)
{
- const char *const cmdline[] = {
- "pairdist",
- "-ref", "resindex 1",
- "-sel", "resindex 3",
- "-cutoff", "1.5"
- };
+ const char* const cmdline[] = { "pairdist", "-ref", "resindex 1", "-sel",
+ "resindex 3", "-cutoff", "1.5" };
setTopology("simple.gro");
setOutputFile("-o", ".xvg", NoTextMatch());
runTest(CommandLine(cmdline));
TEST_F(PairDistanceModuleTest, ComputesMaxDistance)
{
- const char *const cmdline[] = {
- "pairdist",
- "-ref", "resindex 1",
- "-sel", "resindex 3",
- "-type", "max"
- };
+ const char* const cmdline[] = { "pairdist", "-ref", "resindex 1", "-sel",
+ "resindex 3", "-type", "max" };
setTopology("simple.gro");
setOutputFile("-o", ".xvg", NoTextMatch());
runTest(CommandLine(cmdline));
TEST_F(PairDistanceModuleTest, ComputesMaxDistanceWithCutoff)
{
- const char *const cmdline[] = {
- "pairdist",
- "-ref", "resindex 1",
- "-sel", "resindex 3",
- "-cutoff", "1.5", "-type", "max"
- };
+ const char* const cmdline[] = { "pairdist", "-ref", "resindex 1", "-sel", "resindex 3",
+ "-cutoff", "1.5", "-type", "max" };
setTopology("simple.gro");
setOutputFile("-o", ".xvg", NoTextMatch());
runTest(CommandLine(cmdline));
TEST_F(PairDistanceModuleTest, ComputesGroupedMinDistanceWithCutoff)
{
- const char *const cmdline[] = {
- "pairdist",
- "-ref", "resindex 1 to 2", "-refgrouping", "res",
- "-sel", "resindex 3 to 5", "-selgrouping", "res",
- "-cutoff", "2.5"
- };
+ const char* const cmdline[] = { "pairdist", "-ref", "resindex 1 to 2",
+ "-refgrouping", "res", "-sel",
+ "resindex 3 to 5", "-selgrouping", "res",
+ "-cutoff", "2.5" };
setTopology("simple.gro");
setOutputFile("-o", ".xvg", NoTextMatch());
runTest(CommandLine(cmdline));
TEST_F(PairDistanceModuleTest, ComputesGroupedMaxDistanceWithCutoff)
{
- const char *const cmdline[] = {
- "pairdist",
- "-ref", "resindex 1 to 2", "-refgrouping", "res",
- "-sel", "resindex 3 to 5", "-selgrouping", "res",
- "-cutoff", "3.5", "-type", "max"
- };
+ const char* const cmdline[] = { "pairdist",
+ "-ref",
+ "resindex 1 to 2",
+ "-refgrouping",
+ "res",
+ "-sel",
+ "resindex 3 to 5",
+ "-selgrouping",
+ "res",
+ "-cutoff",
+ "3.5",
+ "-type",
+ "max" };
setTopology("simple.gro");
setOutputFile("-o", ".xvg", NoTextMatch());
runTest(CommandLine(cmdline));