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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
#include <BALL/CONCEPT/classTest.h>
///////////////////////////
#include <BALL/SOLVATION/solventDescriptor.h>
///////////////////////////
START_TEST(SolventDescriptor)
/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////
using namespace BALL;
SolventDescriptor* s_ptr;
CHECK(Cstr)
s_ptr = new SolventDescriptor;
TEST_NOT_EQUAL(s_ptr, 0)
TEST_EQUAL(s_ptr->getName(), "")
TEST_EQUAL(s_ptr->getNumberDensity(), 0.0)
TEST_EQUAL(s_ptr->getNumberOfAtomTypes(), 0)
TEST_EXCEPTION(Exception::IndexOverflow, s_ptr->getAtomDescriptor(99))
TEST_EQUAL(s_ptr->isValid(), false)
RESULT
CHECK(Destructor)
delete(s_ptr);
RESULT
vector<SolventAtomDescriptor> SADVector;
SolventAtomDescriptor SAD;
SAD.element_symbol="L";
SAD.radius=1.999;
SADVector.push_back(SAD);
CHECK(SolventDescriptor(const String& name, float number_density, const std::vector<SolventAtomDescriptor>& atom_list))
s_ptr = new SolventDescriptor("SolvD1", 1.234, SADVector);
TEST_NOT_EQUAL(s_ptr, 0)
TEST_EQUAL(s_ptr->getName(), "SolvD1")
TEST_REAL_EQUAL(s_ptr->getNumberDensity(), 1.234)
TEST_EQUAL(s_ptr->getNumberOfAtomTypes(), 1)
TEST_EQUAL(s_ptr->isValid(), true)
RESULT
SolventDescriptor* s_ptr2;
CHECK(Cpy-Cstr)
s_ptr2 = new SolventDescriptor(*s_ptr);
TEST_NOT_EQUAL(s_ptr2, 0)
TEST_EQUAL(s_ptr2->getName(), "SolvD1")
TEST_REAL_EQUAL(s_ptr2->getNumberDensity(), 1.234)
TEST_EQUAL(s_ptr2->getNumberOfAtomTypes(), 1)
TEST_EQUAL(s_ptr2->isValid(), true)
RESULT
CHECK(SolventDescriptor::clear())
s_ptr2->clear();
TEST_NOT_EQUAL(s_ptr2, 0)
TEST_EQUAL(s_ptr2->getName(), "")
TEST_REAL_EQUAL(s_ptr2->getNumberDensity(), 0.0)
TEST_EQUAL(s_ptr2->getNumberOfAtomTypes(), 0)
TEST_EQUAL(s_ptr2->isValid(), false)
RESULT
CHECK(SolventDescriptor::setName(const String& name) throw())
s_ptr2->setName("SolvD1");
TEST_EQUAL(s_ptr2->getName(), "SolvD1");
RESULT
CHECK(SolventDescriptor::setNumberDensity(float number_density) throw())
s_ptr2->setNumberDensity(1.234);
TEST_REAL_EQUAL(s_ptr2->getNumberDensity(), 1.234);
RESULT
CHECK(SolventDescriptor::setSolventAtomDescriptorList(const std::vector<SolventAtomDescriptor>& solvent_atoms) throw())
s_ptr2->setSolventAtomDescriptorList(SADVector);
TEST_EQUAL(s_ptr2->getNumberOfAtomTypes(), 1)
RESULT
CHECK(SolventDescriptor::getSolventAtomDescriptorList() const throw())
TEST_EQUAL(s_ptr2->getSolventAtomDescriptorList().size(),1)
RESULT
CHECK(SolventDescriptor::getAtomDescriptor(Position index) const throw())
SolventAtomDescriptor SAD2 = s_ptr2->getAtomDescriptor(0);
TEST_REAL_EQUAL(SAD2.radius,1.999)
TEST_EXCEPTION(Exception::IndexOverflow, s_ptr2->getAtomDescriptor(99))
RESULT
CHECK(SolventDescriptor::bool operator == (const SolventDescriptor& descriptor) const throw())
TEST_EQUAL(*s_ptr == *s_ptr2, true)
s_ptr2->setName("SolvD1a");
TEST_EQUAL(*s_ptr==*s_ptr2, true)
s_ptr2->getAtomDescriptor(0).radius = 99.99;
TEST_REAL_EQUAL(s_ptr2->getAtomDescriptor(0).radius, (float) 99.99)
TEST_EQUAL(s_ptr->getAtomDescriptor(0).radius == s_ptr2->getAtomDescriptor(0).radius, false)
TEST_EQUAL(*s_ptr==*s_ptr2, false)
RESULT
delete s_ptr;
delete s_ptr2;
//?????: after changes in class: need to test const and mutable methods
///////////////////////////////
END_TEST
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