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Consolidate duplicate species checks in Phase::addSpecies

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This commit is contained in:
Ray Speth 2016-09-10 21:43:44 -04:00
parent e49f843797
commit 11f6c2f993
5 changed files with 14 additions and 30 deletions
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4
interfaces/cython/cantera/ctml_writer.py
View file

@ -585,8 +585,6 @@ class species(object):
global _enames global _enames
_species.append(self) _species.append(self)
global _speciesnames global _speciesnames
if name in _speciesnames:
raise CTI_Error('species '+name+' multiply defined.')
_speciesnames.append(name) _speciesnames.append(name)
for e in self._atoms.keys(): for e in self._atoms.keys():
_enames[e] = 1 _enames[e] = 1
@ -1783,8 +1781,6 @@ class phase(object):
self._sp.append(('', spnames)) self._sp.append(('', spnames))
for s in spnames.split(): for s in spnames.split():
if s != 'all' and s in self._spmap:
raise CTI_Error('Multiply-declared species '+s+' in phase '+self._name)
self._spmap[s] = self._dim self._spmap[s] = self._dim
self._rxns = reactions self._rxns = reactions

2
interfaces/cython/cantera/test/test_convert.py
View file

@ -427,7 +427,7 @@ class CtmlConverterTest(utilities.CanteraTest):
except RuntimeError as e: except RuntimeError as e:
err = e err = e
self.assertIn('Multiply-declared species', err.args[0]) self.assertIn('already contains', err.args[0])
def test_noninteger_atomicity(self): def test_noninteger_atomicity(self):
gas = ct.Solution('../data/noninteger-atomicity.cti') gas = ct.Solution('../data/noninteger-atomicity.cti')

5
interfaces/cython/cantera/test/test_thermo.py
View file

@ -621,6 +621,11 @@ class TestThermoPhase(utilities.CanteraTest):
gc.collect() gc.collect()
self.phase.add_species(ref.species('CH2O')) self.phase.add_species(ref.species('CH2O'))
def test_add_species_duplicate(self):
species = self.phase.species('H2O2')
with self.assertRaises(RuntimeError):
self.phase.add_species(species)
class TestThermo(utilities.CanteraTest): class TestThermo(utilities.CanteraTest):
def setUp(self): def setUp(self):

5
src/thermo/Phase.cpp
View file

@ -757,6 +757,11 @@ size_t Phase::addElement(const std::string& symbol, doublereal weight,
} }
bool Phase::addSpecies(shared_ptr<Species> spec) { bool Phase::addSpecies(shared_ptr<Species> spec) {
if (m_species.find(spec->name) != m_species.end()) {
throw CanteraError("Phase::addSpecies",
"Phase '{}' already contains a species named '{}'.",
m_name, spec->name);
}
m_species[spec->name] = spec; m_species[spec->name] = spec;
vector_fp comp(nElements()); vector_fp comp(nElements());
for (const auto& elem : spec->composition) { for (const auto& elem : spec->composition) {

28
src/thermo/ThermoFactory.cpp
View file

@ -190,16 +190,7 @@ static void formSpeciesXMLNodeList(std::vector<XML_Node*> &spDataNodeList,
spnames.resize(nsp); spnames.resize(nsp);
for (size_t nn = 0; nn < nsp; nn++) { for (size_t nn = 0; nn < nsp; nn++) {
string stemp = (*allsp[nn])["name"]; string stemp = (*allsp[nn])["name"];
bool skip = false; if (!declared[stemp] || sprule[jsp] < 10) {
if (declared[stemp]) {
if (sprule[jsp] >= 10) {
skip = true;
} else {
throw CanteraError("ThermoFactory::formSpeciesXMLNodeList()",
"duplicate species: \"" + stemp + "\"");
}
}
if (!skip) {
declared[stemp] = true; declared[stemp] = true;
spNamesList.push_back(stemp); spNamesList.push_back(stemp);
spDataNodeList.push_back(allsp[nn]); spDataNodeList.push_back(allsp[nn]);
@ -212,11 +203,7 @@ static void formSpeciesXMLNodeList(std::vector<XML_Node*> &spDataNodeList,
spnames.resize(nsp); spnames.resize(nsp);
for (size_t nn = 0; nn < nsp; nn++) { for (size_t nn = 0; nn < nsp; nn++) {
string stemp = (*allsp[nn])["name"]; string stemp = (*allsp[nn])["name"];
bool skip = false; if (!declared[stemp]) {
if (declared[stemp]) {
skip = true;
}
if (!skip) {
declared[stemp] = true; declared[stemp] = true;
spNamesList.push_back(stemp); spNamesList.push_back(stemp);
spDataNodeList.push_back(allsp[nn]); spDataNodeList.push_back(allsp[nn]);
@ -231,16 +218,7 @@ static void formSpeciesXMLNodeList(std::vector<XML_Node*> &spDataNodeList,
} }
for (size_t k = 0; k < nsp; k++) { for (size_t k = 0; k < nsp; k++) {
string stemp = spnames[k]; string stemp = spnames[k];
bool skip = false; if (!declared[stemp] || sprule[jsp] < 10) {
if (declared[stemp]) {
if (sprule[jsp] >= 10) {
skip = true;
} else {
throw CanteraError("ThermoFactory::formSpeciesXMLNodeList()",
"duplicate species: \"" + stemp + "\"");
}
}
if (!skip) {
declared[stemp] = true; declared[stemp] = true;
// Find the species in the database by name. // Find the species in the database by name.
auto iter = speciesNodes.find(stemp); auto iter = speciesNodes.find(stemp);