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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
#include <BALL/CONCEPT/classTest.h>
#include <BALLTestConfig.h>
///////////////////////////
// insert includes here
#include <BALL/SOLVATION/claverieParameter.h>
///////////////////////////
START_TEST(ClaverieParameter)
/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////
using namespace BALL;
ClaverieParameter* cp_ptr = 0;
CHECK(ClaverieParameter::ClaverieParameter())
cp_ptr = new ClaverieParameter;
TEST_NOT_EQUAL(cp_ptr, 0)
std::vector<std::pair<float, float> > test_params;
bool test = (test_params == cp_ptr->getParameters());
TEST_EQUAL(test, true)
HashMap<Atom::Type, Index> test_indices;
test = (test_indices == cp_ptr->getIndices());
TEST_EQUAL(test, true)
delete cp_ptr;
RESULT
CHECK(ClaverieParameter::(const ClaverieParameter& param)())
ClaverieParameter cp1;
ForceFieldParameters fffparam(BALL_TEST_DATA_PATH(ClaverieParameter_test.ini));
cp1.extractSection(fffparam, "ClaverieParameters");
ClaverieParameter cp2;
bool test = (cp1 == cp2);
TEST_NOT_EQUAL(test, true)
ClaverieParameter cp3(cp1);
test = (cp1 == cp3);
TEST_EQUAL(test, true)
RESULT
CHECK(ClaverieParameter::clear())
ClaverieParameter empty;
ClaverieParameter nonempty;
ForceFieldParameters fffparam(BALL_TEST_DATA_PATH(ClaverieParameter_test.ini));
nonempty.extractSection(fffparam, "ClaverieParameters");
bool test = (empty == nonempty);
TEST_NOT_EQUAL(test, true)
nonempty.clear();
test = (empty == nonempty);
TEST_EQUAL(test, true)
RESULT
CHECK(ClaverieParameter::ClaverieParameter& operator = (const ClaverieParameter& param))
ClaverieParameter cp1;
ForceFieldParameters fffparam(BALL_TEST_DATA_PATH(ClaverieParameter_test.ini));
cp1.extractSection(fffparam, "ClaverieParameters");
ClaverieParameter cp2;
bool test = (cp1 == cp2);
TEST_NOT_EQUAL(test, true)
cp2 = cp1;
test = (cp1 == cp2);
TEST_EQUAL(test, true)
RESULT
CHECK(ClaverieParameter::hasParameters(Atom::Type solvent_type, Atom::Type solute_type) const )
ClaverieParameter cp;
ForceFieldParameters fffparam(BALL_TEST_DATA_PATH(ClaverieParameter_test.ini));
cp.extractSection(fffparam, "ClaverieParameters");
Atom::Type type_HW = fffparam.getAtomTypes().getType("HW");
Atom::Type type_OW = fffparam.getAtomTypes().getType("OW");
Atom::Type type_CT = fffparam.getAtomTypes().getType("CT");
Atom::Type type_HC = fffparam.getAtomTypes().getType("HC");
bool test = cp.hasParameters(type_HW, type_CT);
TEST_EQUAL(test, true)
test = cp.hasParameters(type_HC, type_OW);
TEST_EQUAL(test, true)
RESULT
CHECK(ClaverieParameter::getParameters(Atom::Type solvent_type, Atom::Type solute_type) const )
ClaverieParameter cp;
ForceFieldParameters fffparam(BALL_TEST_DATA_PATH(ClaverieParameter_test.ini));
cp.extractSection(fffparam, "ClaverieParameters");
Atom::Type type_HW = fffparam.getAtomTypes().getType("HW");
//Atom::Type type_OW = fffparam.getAtomTypes().getType("OW");
Atom::Type type_CT = fffparam.getAtomTypes().getType("CT");
//Atom::Type type_HC = fffparam.getAtomTypes().getType("HC");
::std::pair<float, float> params;
params = cp.getParameters(type_HW, type_CT);
PRECISION(0.0001)
TEST_REAL_EQUAL(params.first, 1.0)
TEST_REAL_EQUAL(params.second, 2.85657)
RESULT
CHECK(ClaverieParameter::extractSection(ForceFieldParameters& parameters, const String& section_name))
ClaverieParameter cp;
ForceFieldParameters ffparam;
bool test = cp.extractSection(ffparam, "Egal");
TEST_EQUAL(test, false)
cp.clear();
ForceFieldParameters fffparam(BALL_TEST_DATA_PATH(ClaverieParameter_test.ini));
CAPTURE_OUTPUT_LEVEL(2000);
test = cp.extractSection(fffparam, "ClaverieParameters2");
COMPARE_OUTPUT("Variable missing.\n");
TEST_EQUAL(test, false)
cp.clear();
CAPTURE_OUTPUT_LEVEL(2000);
test = cp.extractSection(fffparam, "ClaverieParameters3");
COMPARE_OUTPUT("Cannot assign atom type XX\n");
TEST_EQUAL(test, false)
RESULT
/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////
END_TEST
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