Sort all includes in src/gromacs

[alexxy/gromacs.git] / src / gromacs / selection / tests / selectioncollection.cpp

diff --git a/src/gromacs/selection/tests/selectioncollection.cpp b/src/gromacs/selection/tests/selectioncollection.cpp
index d299a2b56c2e110b334c0c66bf0069be7a0b111e..9e6fd86281b473c7d77929ad4c57422547526ea8 100644 (file)
--- a/src/gromacs/selection/tests/selectioncollection.cpp
+++ b/src/gromacs/selection/tests/selectioncollection.cpp
@@ -39,13 +39,18 @@
  * \author Teemu Murtola <teemu.murtola@gmail.com>
  * \ingroup module_selection
  */
+#include "gmxpre.h"
+
+#include "gromacs/selection/selectioncollection.h"
+
 #include <gtest/gtest.h>
 
+#include "gromacs/fileio/trx.h"
 #include "gromacs/options/basicoptions.h"
 #include "gromacs/options/options.h"
 #include "gromacs/selection/indexutil.h"
-#include "gromacs/selection/selectioncollection.h"
 #include "gromacs/selection/selection.h"
+#include "gromacs/topology/topology.h"
 #include "gromacs/utility/arrayref.h"
 #include "gromacs/utility/exceptions.h"
 #include "gromacs/utility/flags.h"
@@ -518,6 +523,27 @@ TEST_F(SelectionCollectionTest, HandlesUnsortedGroupReferenceDelayed)
     // EXPECT_THROW_GMX(sc_.compile(), gmx::APIError);
 }
 
+TEST_F(SelectionCollectionTest, HandlesOutOfRangeAtomIndexInGroup)
+{
+    ASSERT_NO_THROW_GMX(sc_.setTopology(NULL, 5));
+    ASSERT_NO_THROW_GMX(loadIndexGroups("simple.ndx"));
+    EXPECT_THROW_GMX(sc_.parseFromString("group \"GrpB\""), gmx::InconsistentInputError);
+}
+
+TEST_F(SelectionCollectionTest, HandlesOutOfRangeAtomIndexInGroupDelayed)
+{
+    ASSERT_NO_THROW_GMX(loadIndexGroups("simple.ndx"));
+    ASSERT_NO_THROW_GMX(sc_.parseFromString("group \"GrpB\""));
+    EXPECT_THROW_GMX(sc_.setTopology(NULL, 5), gmx::InconsistentInputError);
+}
+
+TEST_F(SelectionCollectionTest, HandlesOutOfRangeAtomIndexInGroupDelayed2)
+{
+    ASSERT_NO_THROW_GMX(sc_.setTopology(NULL, 5));
+    ASSERT_NO_THROW_GMX(sc_.parseFromString("group \"GrpB\""));
+    EXPECT_THROW_GMX(loadIndexGroups("simple.ndx"), gmx::InconsistentInputError);
+}
+
 TEST_F(SelectionCollectionTest, RecoversFromMissingMoleculeInfo)
 {
     ASSERT_NO_THROW_GMX(sc_.parseFromString("molindex 1 to 5"));
@@ -561,7 +587,35 @@ TEST_F(SelectionCollectionTest, RecoversFromInvalidPermutation3)
     EXPECT_THROW_GMX(sc_.evaluate(frame_, NULL), gmx::InconsistentInputError);
 }
 
-// TODO: Tests for evaluation errors
+TEST_F(SelectionCollectionTest, HandlesFramesWithTooSmallAtomSubsets)
+{
+    ASSERT_NO_THROW_GMX(sc_.parseFromString("atomnr 3 to 10"));
+    ASSERT_NO_FATAL_FAILURE(loadTopology("simple.gro"));
+    ASSERT_NO_THROW_GMX(sc_.compile());
+    frame_->natoms = 8;
+    EXPECT_THROW_GMX(sc_.evaluate(frame_, NULL), gmx::InconsistentInputError);
+}
+
+TEST_F(SelectionCollectionTest, HandlesFramesWithTooSmallAtomSubsets2)
+{
+    // Evaluating the positions will require atoms 1-9.
+    ASSERT_NO_THROW_GMX(sc_.parseFromString("whole_res_com of atomnr 2 5 7"));
+    ASSERT_NO_FATAL_FAILURE(loadTopology("simple.gro"));
+    ASSERT_NO_THROW_GMX(sc_.compile());
+    frame_->natoms = 8;
+    EXPECT_THROW_GMX(sc_.evaluate(frame_, NULL), gmx::InconsistentInputError);
+}
+
+TEST_F(SelectionCollectionTest, HandlesFramesWithTooSmallAtomSubsets3)
+{
+    ASSERT_NO_THROW_GMX(sc_.parseFromString("mindistance from atomnr 1 to 5 < 2"));
+    ASSERT_NO_FATAL_FAILURE(loadTopology("simple.gro"));
+    ASSERT_NO_THROW_GMX(sc_.compile());
+    frame_->natoms = 10;
+    EXPECT_THROW_GMX(sc_.evaluate(frame_, NULL), gmx::InconsistentInputError);
+}
+
+// TODO: Tests for more evaluation errors
 
 
 /********************************************************************