Sort all includes in src/gromacs

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

diff --git a/src/gromacs/selection/tests/selectionoption.cpp b/src/gromacs/selection/tests/selectionoption.cpp
index 7fc687126f03c348ccf089db77c3624725c63dfb..8f3397cf430bc0a8c24c4747eda61281009b75fc 100644 (file)
--- a/src/gromacs/selection/tests/selectionoption.cpp
+++ b/src/gromacs/selection/tests/selectionoption.cpp
@@ -1,10 +1,10 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2010,2011,2012,2013, by the GROMACS development team, led by
- * David van der Spoel, Berk Hess, Erik Lindahl, and including many
- * others, as listed in the AUTHORS file in the top-level source
- * directory and at http://www.gromacs.org.
+ * Copyright (c) 2010,2011,2012,2013,2014, 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.
  *
  * GROMACS is free software; you can redistribute it and/or
  * modify it under the terms of the GNU Lesser General Public License
@@ -39,6 +39,10 @@
  * \author Teemu Murtola <teemu.murtola@gmail.com>
  * \ingroup module_selection
  */
+#include "gmxpre.h"
+
+#include "gromacs/selection/selectionoption.h"
+
 #include <gtest/gtest.h>
 
 #include "gromacs/options/options.h"
@@ -46,13 +50,14 @@
 #include "gromacs/selection/selection.h"
 #include "gromacs/selection/selectioncollection.h"
 #include "gromacs/selection/selectionfileoption.h"
-#include "gromacs/selection/selectionoption.h"
 #include "gromacs/selection/selectionoptionmanager.h"
 #include "gromacs/utility/exceptions.h"
 
 #include "testutils/testasserts.h"
 #include "testutils/testfilemanager.h"
 
+#include "toputils.h"
+
 using gmx::test::TestFileManager;
 
 namespace
@@ -67,23 +72,29 @@ class SelectionOptionTestBase : public ::testing::Test
     public:
         SelectionOptionTestBase();
 
-        void setManager();
+        void loadTopology(const char *filename);
 
         gmx::SelectionCollection    sc_;
         gmx::SelectionOptionManager manager_;
         gmx::Options                options_;
+
+    private:
+        gmx::test::TopologyManager  topManager_;
 };
 
 SelectionOptionTestBase::SelectionOptionTestBase()
     : manager_(&sc_), options_(NULL, NULL)
 {
+    options_.addManager(&manager_);
     sc_.setReferencePosType("atom");
     sc_.setOutputPosType("atom");
 }
 
-void SelectionOptionTestBase::setManager()
+void SelectionOptionTestBase::loadTopology(const char *filename)
 {
-    setManagerForSelectionOptions(&options_, &manager_);
+    topManager_.loadTopology(filename);
+
+    ASSERT_NO_THROW_GMX(sc_.setTopology(topManager_.topology(), -1));
 }
 
 
@@ -99,7 +110,6 @@ TEST_F(SelectionOptionTest, ParsesSimpleSelection)
     gmx::Selection sel;
     using gmx::SelectionOption;
     ASSERT_NO_THROW_GMX(options_.addOption(SelectionOption("sel").store(&sel)));
-    setManager();
 
     gmx::OptionsAssigner assigner(&options_);
     EXPECT_NO_THROW_GMX(assigner.start());
@@ -108,6 +118,8 @@ TEST_F(SelectionOptionTest, ParsesSimpleSelection)
     EXPECT_NO_THROW_GMX(assigner.finishOption());
     EXPECT_NO_THROW_GMX(assigner.finish());
     EXPECT_NO_THROW_GMX(options_.finish());
+
+    ASSERT_TRUE(sel.isValid());
 }
 
 
@@ -117,7 +129,6 @@ TEST_F(SelectionOptionTest, HandlesDynamicSelectionWhenStaticRequired)
     using gmx::SelectionOption;
     ASSERT_NO_THROW_GMX(options_.addOption(
                                 SelectionOption("sel").store(&sel).onlyStatic()));
-    setManager();
 
     gmx::OptionsAssigner assigner(&options_);
     EXPECT_NO_THROW_GMX(assigner.start());
@@ -129,12 +140,69 @@ TEST_F(SelectionOptionTest, HandlesDynamicSelectionWhenStaticRequired)
 }
 
 
+TEST_F(SelectionOptionTest, HandlesNonAtomicSelectionWhenAtomsRequired)
+{
+    gmx::Selection sel;
+    using gmx::SelectionOption;
+    ASSERT_NO_THROW_GMX(options_.addOption(
+                                SelectionOption("sel").store(&sel).onlyAtoms()));
+
+    gmx::OptionsAssigner assigner(&options_);
+    EXPECT_NO_THROW_GMX(assigner.start());
+    ASSERT_NO_THROW_GMX(assigner.startOption("sel"));
+    EXPECT_NO_THROW_GMX(assigner.appendValue("res_cog of resname RA RB"));
+    EXPECT_NO_THROW_GMX(assigner.finishOption());
+    EXPECT_NO_THROW_GMX(assigner.finish());
+    EXPECT_NO_THROW_GMX(options_.finish());
+
+    ASSERT_NO_FATAL_FAILURE(loadTopology("simple.gro"));
+    EXPECT_THROW_GMX(sc_.compile(), gmx::InvalidInputError);
+}
+
+
+TEST_F(SelectionOptionTest, ChecksEmptySelections)
+{
+    gmx::Selection sel;
+    using gmx::SelectionOption;
+    ASSERT_NO_THROW_GMX(options_.addOption(
+                                SelectionOption("sel").store(&sel)));
+
+    gmx::OptionsAssigner assigner(&options_);
+    EXPECT_NO_THROW_GMX(assigner.start());
+    ASSERT_NO_THROW_GMX(assigner.startOption("sel"));
+    EXPECT_NO_THROW_GMX(assigner.appendValue("none"));
+    EXPECT_NO_THROW_GMX(assigner.finishOption());
+    EXPECT_NO_THROW_GMX(assigner.finish());
+    EXPECT_NO_THROW_GMX(options_.finish());
+
+    EXPECT_THROW_GMX(sc_.compile(), gmx::InvalidInputError);
+}
+
+
+TEST_F(SelectionOptionTest, ChecksEmptyDelayedSelections)
+{
+    gmx::Selection sel;
+    using gmx::SelectionOption;
+    ASSERT_NO_THROW_GMX(options_.addOption(
+                                SelectionOption("sel").store(&sel)));
+
+    gmx::OptionsAssigner assigner(&options_);
+    EXPECT_NO_THROW_GMX(assigner.start());
+    ASSERT_NO_THROW_GMX(assigner.startOption("sel"));
+    EXPECT_NO_THROW_GMX(assigner.finishOption());
+    EXPECT_NO_THROW_GMX(assigner.finish());
+    EXPECT_NO_THROW_GMX(options_.finish());
+    ASSERT_NO_THROW_GMX(manager_.parseRequestedFromString("none"));
+
+    EXPECT_THROW_GMX(sc_.compile(), gmx::InvalidInputError);
+}
+
+
 TEST_F(SelectionOptionTest, HandlesTooManySelections)
 {
     gmx::Selection sel;
     using gmx::SelectionOption;
     ASSERT_NO_THROW_GMX(options_.addOption(SelectionOption("sel").store(&sel)));
-    setManager();
 
     gmx::OptionsAssigner assigner(&options_);
     EXPECT_NO_THROW_GMX(assigner.start());
@@ -153,7 +221,6 @@ TEST_F(SelectionOptionTest, HandlesTooFewSelections)
     using gmx::SelectionOption;
     ASSERT_NO_THROW_GMX(options_.addOption(
                                 SelectionOption("sel").store(sel).valueCount(2)));
-    setManager();
 
     gmx::OptionsAssigner assigner(&options_);
     EXPECT_NO_THROW_GMX(assigner.start());
@@ -165,13 +232,30 @@ TEST_F(SelectionOptionTest, HandlesTooFewSelections)
 }
 
 
+TEST_F(SelectionOptionTest, HandlesDefaultSelectionText)
+{
+    gmx::Selection sel;
+    using gmx::SelectionOption;
+    options_.addOption(SelectionOption("sel").store(&sel)
+                           .defaultSelectionText("all"));
+
+    EXPECT_NO_THROW_GMX(options_.finish());
+
+    ASSERT_TRUE(sel.isValid());
+
+    EXPECT_NO_THROW_GMX(sc_.setTopology(NULL, 10));
+    EXPECT_NO_THROW_GMX(sc_.compile());
+
+    EXPECT_STREQ("all", sel.selectionText());
+}
+
+
 TEST_F(SelectionOptionTest, HandlesAdjuster)
 {
     gmx::SelectionList        sel;
     using gmx::SelectionOption;
     gmx::SelectionOptionInfo *info = options_.addOption(
                 SelectionOption("sel").storeVector(&sel).multiValue());
-    setManager();
 
     gmx::OptionsAssigner assigner(&options_);
     EXPECT_NO_THROW_GMX(assigner.start());
@@ -191,7 +275,6 @@ TEST_F(SelectionOptionTest, HandlesDynamicWhenStaticRequiredWithAdjuster)
     using gmx::SelectionOption;
     gmx::SelectionOptionInfo *info = options_.addOption(
                 SelectionOption("sel").store(&sel));
-    setManager();
 
     gmx::OptionsAssigner assigner(&options_);
     EXPECT_NO_THROW_GMX(assigner.start());
@@ -210,7 +293,6 @@ TEST_F(SelectionOptionTest, HandlesTooManySelectionsWithAdjuster)
     using gmx::SelectionOption;
     gmx::SelectionOptionInfo *info = options_.addOption(
                 SelectionOption("sel").storeVector(&sel).multiValue());
-    setManager();
 
     gmx::OptionsAssigner assigner(&options_);
     EXPECT_NO_THROW_GMX(assigner.start());
@@ -230,7 +312,6 @@ TEST_F(SelectionOptionTest, HandlesTooFewSelectionsWithAdjuster)
     using gmx::SelectionOption;
     gmx::SelectionOptionInfo *info = options_.addOption(
                 SelectionOption("sel").storeVector(&sel).multiValue());
-    setManager();
 
     gmx::OptionsAssigner assigner(&options_);
     EXPECT_NO_THROW_GMX(assigner.start());
@@ -249,7 +330,6 @@ TEST_F(SelectionOptionTest, HandlesDelayedRequiredSelection)
     using gmx::SelectionOption;
     ASSERT_NO_THROW_GMX(options_.addOption(
                                 SelectionOption("sel").store(&sel).required()));
-    setManager();
 
     gmx::OptionsAssigner assigner(&options_);
     EXPECT_NO_THROW_GMX(assigner.start());
@@ -267,7 +347,6 @@ TEST_F(SelectionOptionTest, HandlesTooFewDelayedRequiredSelections)
     ASSERT_NO_THROW_GMX(options_.addOption(
                                 SelectionOption("sel").store(sel).required()
                                     .valueCount(2)));
-    setManager();
 
     gmx::OptionsAssigner assigner(&options_);
     EXPECT_NO_THROW_GMX(assigner.start());
@@ -282,7 +361,6 @@ TEST_F(SelectionOptionTest, HandlesDelayedOptionalSelection)
     gmx::Selection sel;
     using gmx::SelectionOption;
     ASSERT_NO_THROW_GMX(options_.addOption(SelectionOption("sel").store(&sel)));
-    setManager();
 
     gmx::OptionsAssigner assigner(&options_);
     EXPECT_NO_THROW_GMX(assigner.start());
@@ -301,7 +379,6 @@ TEST_F(SelectionOptionTest, HandlesDelayedSelectionWithAdjuster)
     using gmx::SelectionOption;
     gmx::SelectionOptionInfo *info = options_.addOption(
                 SelectionOption("sel").storeVector(&sel).valueCount(3));
-    setManager();
 
     gmx::OptionsAssigner assigner(&options_);
     EXPECT_NO_THROW_GMX(assigner.start());
@@ -340,7 +417,6 @@ TEST_F(SelectionFileOptionTest, HandlesSingleSelectionOptionFromFile)
     ASSERT_NO_THROW_GMX(options_.addOption(
                                 SelectionOption("reqsel").storeVector(&reqsel)
                                     .multiValue().required()));
-    setManager();
 
     gmx::OptionsAssigner assigner(&options_);
     EXPECT_NO_THROW_GMX(assigner.start());
@@ -369,7 +445,6 @@ TEST_F(SelectionFileOptionTest, HandlesTwoSeparateSelectionOptions)
                                 SelectionOption("sel1").storeVector(&sel1).multiValue()));
     ASSERT_NO_THROW_GMX(options_.addOption(
                                 SelectionOption("sel2").storeVector(&sel2).multiValue()));
-    setManager();
 
     gmx::OptionsAssigner assigner(&options_);
     std::string          value(TestFileManager::getInputFilePath("selfile.dat"));
@@ -406,7 +481,6 @@ TEST_F(SelectionFileOptionTest, HandlesTwoSelectionOptionsFromSingleFile)
                                 SelectionOption("sel1").storeVector(&sel1)));
     ASSERT_NO_THROW_GMX(options_.addOption(
                                 SelectionOption("sel2").storeVector(&sel2)));
-    setManager();
 
     gmx::OptionsAssigner assigner(&options_);
     std::string          value(TestFileManager::getInputFilePath("selfile.dat"));
@@ -440,7 +514,6 @@ TEST_F(SelectionFileOptionTest, HandlesRequiredOptionFromFile)
     ASSERT_NO_THROW_GMX(options_.addOption(
                                 SelectionOption("optsel").storeVector(&optsel)
                                     .multiValue()));
-    setManager();
 
     gmx::OptionsAssigner assigner(&options_);
     EXPECT_NO_THROW_GMX(assigner.start());
@@ -474,7 +547,6 @@ TEST_F(SelectionFileOptionTest, HandlesRequiredOptionFromFileWithOtherOptionSet)
     ASSERT_NO_THROW_GMX(options_.addOption(
                                 SelectionOption("sel2").storeVector(&sel2)
                                     .multiValue().required()));
-    setManager();
 
     gmx::OptionsAssigner assigner(&options_);
     EXPECT_NO_THROW_GMX(assigner.start());
@@ -505,7 +577,6 @@ TEST_F(SelectionFileOptionTest, HandlesTwoRequiredOptionsFromSingleFile)
                                 SelectionOption("sel1").storeVector(&sel1).required()));
     ASSERT_NO_THROW_GMX(options_.addOption(
                                 SelectionOption("sel2").storeVector(&sel2).required()));
-    setManager();
 
     gmx::OptionsAssigner assigner(&options_);
     std::string          value(TestFileManager::getInputFilePath("selfile.dat"));
@@ -530,7 +601,6 @@ TEST_F(SelectionFileOptionTest, GivesErrorWithNoFile)
     using gmx::SelectionOption;
     ASSERT_NO_THROW_GMX(options_.addOption(
                                 SelectionOption("sel").storeVector(&sel).multiValue()));
-    setManager();
 
     gmx::OptionsAssigner assigner(&options_);
     EXPECT_NO_THROW_GMX(assigner.start());
@@ -549,7 +619,6 @@ TEST_F(SelectionFileOptionTest, GivesErrorWithNonExistentFile)
     using gmx::SelectionOption;
     ASSERT_NO_THROW_GMX(options_.addOption(
                                 SelectionOption("sel").storeVector(&sel).multiValue()));
-    setManager();
 
     gmx::OptionsAssigner assigner(&options_);
     EXPECT_NO_THROW_GMX(assigner.start());
@@ -572,7 +641,6 @@ TEST_F(SelectionFileOptionTest, GivesErrorWithMultipleFiles)
     using gmx::SelectionOption;
     ASSERT_NO_THROW_GMX(options_.addOption(
                                 SelectionOption("sel").storeVector(&sel).multiValue()));
-    setManager();
 
     gmx::OptionsAssigner assigner(&options_);
     EXPECT_NO_THROW_GMX(assigner.start());