research/cantera
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions

Isolate lowercase fallback in speciesIndex

Browse source
This commit is contained in:
Ingmar Schoegl 2019-09-23 16:37:34 -05:00 • committed by Ray Speth
parent 717635d3e6
commit 5e692e893a
4 changed files with 16 additions and 40 deletions
Show stats Download patch file Download diff file Expand all files Collapse all files

1
interfaces/cython/cantera/_cantera.pxd
View file

@ -165,6 +165,7 @@ cdef extern from "cantera/thermo/ThermoPhase.h" namespace "Cantera":
# species properties
size_t nSpecies()
shared_ptr[CxxSpecies] species(string) except +translate_exception
shared_ptr[CxxSpecies] species(size_t) except +translate_exception
size_t speciesIndex(string) except +translate_exception
string speciesName(size_t) except +translate_exception

4
interfaces/cython/cantera/test/test_thermo.py
View file

@ -1257,6 +1257,10 @@ class TestMisc(utilities.CanteraTest):
gas = ct.Solution('h2o2.xml')
self.assertFalse(gas.case_sensitive_species_names)
self.assertTrue(gas.species_index('h2') == 0)
gas.X = 'h2:.5, o2:.5'
self.assertNear(gas.X[0], 0.5)
gas.Y = 'h2:.5, o2:.5'
self.assertNear(gas.Y[0], 0.5)
gas.case_sensitive_species_names = True
self.assertTrue(gas.case_sensitive_species_names)

3
interfaces/cython/cantera/thermo.pyx
View file

@ -490,8 +490,7 @@ cdef class ThermoPhase(_SolutionBase):
s = Species(init=False)
if isinstance(k, (str, bytes)):
kk = self.thermo.speciesIndex(stringify(k))
s._assign(self.thermo.species(<int>kk))
s._assign(self.thermo.species(stringify(k)))
elif isinstance(k, (int, float)):
s._assign(self.thermo.species(<int>k))
else:

44
src/thermo/Phase.cpp
View file

@ -195,9 +195,8 @@ size_t Phase::findSpeciesLower(const std::string& name) const
size_t Phase::speciesIndex(const std::string& nameStr) const
{
size_t loc = npos;
std::map<std::string, size_t>::const_iterator it;
it = m_speciesIndices.find(nameStr);
auto it = m_speciesIndices.find(nameStr);
if (it != m_speciesIndices.end()) {
return it->second;
} else if (!m_caseSensitiveSpecies) {
@ -369,19 +368,12 @@ void Phase::setMassFractionsByName(const compositionMap& yMap)
{
vector_fp mf(m_kk, 0.0);
for (const auto& sp : yMap) {
try {
mf[m_speciesIndices.at(sp.first)] = sp.second;
} catch (std::out_of_range&) {
size_t loc = npos;
if (!m_caseSensitiveSpecies) {
loc = findSpeciesLower(sp.first);
}
if (loc == npos) {
size_t loc = speciesIndex(sp.first);
if (loc != npos) {
mf[loc] = sp.second;
} else {
throw CanteraError("Phase::setMassFractionsByName",
"Unknown species '{}'", sp.first);
} else {
mf[loc] = sp.second;
}
}
}
setMassFractions(&mf[0]);
@ -846,29 +838,9 @@ void Phase::modifySpecies(size_t k, shared_ptr<Species> spec)
shared_ptr<Species> Phase::species(const std::string& name) const
{
std::map<std::string, shared_ptr<Species> >::const_iterator it;
it = m_species.find(name);
if (it != m_species.end()) {
return it->second;
} else if (!m_caseSensitiveSpecies) {
std::string nLower = toLowerCopy(name);
bool found = false;
shared_ptr<Species> sp;
for (const auto& k : m_species) {
if (toLowerCopy(k.first) == nLower) {
if (!found) {
found = true;
sp = k.second;
} else {
throw CanteraError("Phase::species",
"Lowercase species name '{}' is not unique. "
"Set Phase::caseSensitiveSpecies to true to "
"enforce case sensitive species names", nLower);
}
}
}
return sp;
size_t k = speciesIndex(name);
if (k != npos) {
return m_species.at(speciesName(k));
} else {
throw CanteraError("Phase::setMassFractionsByName",
"Unknown species '{}'", name);