void test_getCustomSymbols()
{
msftb = ScatteringFactorTable::createByType("X");
TS_ASSERT(msftb->getCustomSymbols().empty());
msftb->setCustomAs("C", "C", 6.1);
TS_ASSERT_EQUALS(1u, msftb->getCustomSymbols().size());
TS_ASSERT_EQUALS(1u, msftb->getCustomSymbols().count("C"));
msftb->setCustomAs("C", "C", 6.3);
TS_ASSERT_EQUALS(1u, msftb->getCustomSymbols().size());
TS_ASSERT_EQUALS(1u, msftb->getCustomSymbols().count("C"));
TS_ASSERT_DELTA(6.3, msftb->lookup("C"), meps);
ScatteringFactorTablePtr sftb1 = msftb->clone();
msftb->resetCustom("C");
TS_ASSERT(msftb->getCustomSymbols().empty());
TS_ASSERT_EQUALS(1u, sftb1->getCustomSymbols().size());
TS_ASSERT_EQUALS(1u, sftb1->getCustomSymbols().count("C"));
TS_ASSERT_DELTA(6.3, sftb1->lookup("C"), meps);
sftb1->resetAll();
TS_ASSERT(msftb->getCustomSymbols().empty());
}
void test_setCustomAs()
{
msftb = ScatteringFactorTable::createByType("X");
TS_ASSERT_DELTA(6.0, msftb->lookup("C"), 0.01);
msftb->setCustomAs("C", "C", 6.3);
TS_ASSERT_EQUALS(6.3, msftb->lookup("C"));
msftb->setCustomAs("C", "C", 6.4);
TS_ASSERT_DELTA(6.4, msftb->lookup("C"), meps);
TS_ASSERT_THROWS(msftb->lookup("Ccustom"), invalid_argument);
msftb->setCustomAs("Ccustom", "C", 6.5);
TS_ASSERT_DELTA(6.5, msftb->lookup("Ccustom"), meps);
msftb->resetCustom("C");
TS_ASSERT_DELTA(6.5, msftb->lookup("Ccustom"), meps);
TS_ASSERT_DELTA(6.0, msftb->lookup("C"), 0.01);
msftb->resetAll();
TS_ASSERT_THROWS(msftb->lookup("Ccustom"), invalid_argument);
TS_ASSERT_DELTA(6.0, msftb->lookup("C"), 0.01);
msftb->setCustomAs("Calias", "C");
TS_ASSERT_EQUALS(msftb->lookup("C", 0),
msftb->lookup("Calias", 0));
TS_ASSERT_EQUALS(msftb->lookup("C", 2.5),
msftb->lookup("Calias", 2.5));
}
