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 7a22779ef2f0037bfc97ffa7394e66dce4fe94b4..9e6fd86281b473c7d77929ad4c57422547526ea8 100644 (file)
--- a/src/gromacs/selection/tests/selectioncollection.cpp
+++ b/src/gromacs/selection/tests/selectioncollection.cpp
@@ -39,12 +39,16 @@
  * \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"
@@ -417,6 +421,15 @@ TEST_F(SelectionCollectionTest, ParsesSelectionsFromFile)
     EXPECT_STREQ("resname RB RC", sel_[1].selectionText());
 }
 
+TEST_F(SelectionCollectionTest, HandlesAtypicalWhitespace)
+{
+    ASSERT_NO_THROW_GMX(sel_ = sc_.parseFromString("atomnr\n1\r\nto\t10;\vatomnr 3\f to 14\r"));
+    ASSERT_EQ(2U, sel_.size());
+    EXPECT_STREQ("atomnr 1 to 10", sel_[0].selectionText());
+    // TODO: Get rid of the trailing whitespace.
+    EXPECT_STREQ("atomnr 3 to 14 ", sel_[1].selectionText());
+}
+
 TEST_F(SelectionCollectionTest, HandlesInvalidRegularExpressions)
 {
     ASSERT_NO_FATAL_FAILURE(loadTopology("simple.gro"));
@@ -574,7 +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
 
 
 /********************************************************************