added tests for COMaligner

git-svn-id: https://scm.projects.hlrs.de/svn/ls1/MarDyn/trunk@6285 a63bd714-7e14-4b5e-94e7-302c8c8ff188

src/plugins/COMaligner.cpp

@@ -31,7 +31,7 @@ void COMaligner::readXML(XMLfileUnits& xmlconfig){
         global_log -> error() << "[COMaligner] HALTING SIMULATION" << std::endl;
         _enabled = false;
         // HALT SIM
-        global_simulation -> exit(-1);
+        global_simulation -> exit(1);
         return;
     }
 
@@ -88,13 +88,6 @@ void COMaligner::readXML(XMLfileUnits& xmlconfig){
 
     global_log -> debug() << "[COMaligner] dim settings are: " << _dim_start << " " << _dim_end << " " << _dim_step << std::endl;
 
-    // SETUP
-    for (unsigned d = 0; d < 3; d++) {
-        _balance[d] = 0.0;
-        _motion[d] = 0.0;
-    }
-    _mass = 0;
-
 }
 
 //! @brief called before Forces are applied

src/plugins/COMaligner.h

@@ -8,12 +8,12 @@
 #ifndef MARDYN_TRUNK_COMALIGNER_H
 #define MARDYN_TRUNK_COMALIGNER_H
 
+class COMalignerTest;
 #include "PluginBase.h"
 #include "particleContainer/ParticleContainer.h"
 #include "Domain.h"
 #include "parallel/DomainDecompBase.h"
 
-
 //! @brief
 //! Plugin: can be enabled via config.xml <br>
 //!
@@ -33,30 +33,36 @@
 class COMaligner : public PluginBase{
 
 private:
-
+    friend COMalignerTest;
     // DEFAULT: ALIGN IN ALL DIMENSIONS
     bool _alignX = true;
     bool _alignY = true;
     bool _alignZ = true;
 
     bool _enabled = true;
 
-    int _dim_start;
-    int _dim_end;
-    int _dim_step;
+    int _dim_start = 0;
+    int _dim_end = 3;
+    int _dim_step = 1;
 
-    // DEFAULT: EVERY 25th FRAME FULL ALIGNMENT
-    int _interval = 25;
+    // DEFAULT: EVERY FRAME FULL ALIGNMENT
+    int _interval = 1;
     float _alignmentCorrection = 1.0f;
 
     double _motion[3];
     double _balance[3];
-    double _mass;
+    double _mass = 0.0;
     double _boxLength[3];
     double _cutoff;
 
 public:
-    COMaligner(){};
+    COMaligner(){
+        // SETUP
+        for (unsigned d = 0; d < 3; d++) {
+            _balance[d] = 0.0;
+            _motion[d] = 0.0;
+        }
+    };
     ~COMaligner(){};
 
     void init(ParticleContainer* particleContainer, DomainDecompBase* domainDecomp, Domain* domain) override {

src/plugins/tests/COMalignerTest.cpp

@@ -0,0 +1,52 @@
+//
+// Created by kruegener on 5/31/2018.
+//
+
+#include "COMalignerTest.h"
+#include "plugins/COMaligner.h"
+#include "parallel/DomainDecomposition.h"
+#include "particleContainer/ParticleContainer.h"
+#include "particleContainer/LinkedCells.h"
+
+TEST_SUITE_REGISTRATION(COMalignerTest);
+
+COMalignerTest::COMalignerTest() {}
+
+COMalignerTest::~COMalignerTest() {}
+
+void COMalignerTest::testCOMalign() {
+
+    _domainDecomposition = new DomainDecomposition();
+
+    const char* filename = "1clj-regular-2x2x2-offset.inp";
+    double cutoff = 1.5;
+    ParticleContainer* container = initializeFromFile(ParticleContainerFactory::LinkedCell, filename, cutoff);
+    ParticleContainer* oldContainer = initializeFromFile(ParticleContainerFactory::LinkedCell, filename, cutoff);
+
+    COMaligner* plugin = new COMaligner();
+
+    plugin->init(container, _domainDecomposition, _domain);
+    plugin->beforeForces(container, _domainDecomposition, 1);
+
+    // TEST MASS
+    double m = plugin->_mass;
+    ASSERT_EQUAL_MSG("Mass does not match number of particles", double(container->getNumberOfParticles()), m);
+
+    // TEST MOTION
+    ASSERT_EQUAL_MSG("x motion is wrong", -.5, plugin->_motion[0]);
+    ASSERT_EQUAL_MSG("y motion is wrong", -.5, plugin->_motion[1]);
+    ASSERT_EQUAL_MSG("z motion is wrong", -.5, plugin->_motion[2]);
+
+    // TEST IF MOTION WAS APPLIED
+    ParticleIterator newPos = container->iterator();
+    ParticleIterator oldPos = oldContainer->iterator();
+    while(newPos.hasNext()){
+        for(int d = 0; d < 3; d++){
+            ASSERT_EQUAL_MSG("Motion has not been properly applied" ,oldPos->r(d) - .5, newPos->r(d));
+        }
+        newPos.next();
+        oldPos.next();
+    }
+
+    delete _domainDecomposition;
+}

src/plugins/tests/COMalignerTest.h

@@ -0,0 +1,28 @@
+//
+// Created by kruegener on 5/31/2018.
+//
+
+
+#ifndef DCOMALIGNERTEST_H
+#define DCOMALIGNERTEST_H
+
+//#include "utils/Testing.h"
+#include "utils/TestWithSimulationSetup.h"
+
+class COMalignerTest : public utils::TestWithSimulationSetup {
+
+    TEST_SUITE(COMalignerTest);
+    TEST_METHOD(testCOMalign);
+    TEST_SUITE_END;
+
+public:
+
+    COMalignerTest();
+
+    virtual ~COMalignerTest();
+
+    void testCOMalign();
+
+};
+
+#endif //DCOMALIGNERTEST_H

test_input/1clj-regular-2x2x2-offset.inp

@@ -0,0 +1,21 @@
+mardyn trunk 20090721
+currentTime     0.00
+#rho   0.001893
+# Vmax 0.006831
+Temperature     0.700000
+Length          3.0000 3.0000 3.0000
+NumberOfComponents	1
+1	0	0	0	0
+0 0 0	1	1 1 1 0
+0 0 0
+1e+10
+NumberOfMolecules       8
+MoleculeFormat  ICRV
+1 1 1.500000 1.500000 1.500000 0.0 0.0 0.0
+2 1 2.500000 1.500000 1.500000 0.0 0.0 0.0
+3 1 1.500000 2.500000 1.500000 0.0 0.0 0.0
+4 1 2.500000 2.500000 1.500000 0.0 0.0 0.0
+5 1 1.500000 1.500000 2.500000 0.0 0.0 0.0
+6 1 2.500000 1.500000 2.500000 0.0 0.0 0.0
+7 1 1.500000 2.500000 2.500000 0.0 0.0 0.0
+8 1 2.500000 2.500000 2.500000 0.0 0.0 0.0