/*
* @param right Object to be copied
*/
EdgePhase& EdgePhase::operator=(const EdgePhase & right) {
if (&right != this) {
SurfPhase::operator=(right);
setNDim(1);
}
return *this;
}
SurfPhase::SurfPhase(doublereal n0):
ThermoPhase(),
m_n0(n0),
m_logn0(0.0),
m_press(OneAtm)
{
if (n0 > 0.0) {
m_logn0 = log(n0);
}
setNDim(2);
}
SurfPhase::SurfPhase(doublereal n0):
ThermoPhase(),
m_n0(n0),
m_logn0(0.0),
m_tmin(0.0),
m_tmax(0.0),
m_press(OneAtm),
m_tlast(0.0)
{
if (n0 > 0.0) m_logn0 = log(n0);
setNDim(2);
}
//====================================================================================================================
FixedChemPotSSTP::FixedChemPotSSTP(std::string Ename, doublereal val) :
SingleSpeciesTP(),
chemPot_(0.0)
{
std::string pname = Ename + "Fixed";
setID(pname);
setName(pname);
setNDim(3);
addUniqueElement(Ename, -12345.);
freezeElements();
vector_fp ecomp(nElements(), 0.0);
ecomp[0] = 1.0;
double chrg = 0.0;
SpeciesThermo* spth = new SimpleThermo();
setSpeciesThermo(spth);
addUniqueSpecies(pname, &ecomp[0], chrg, 0.0);
double c[4];
c[0] = 298.15;
c[1] = val;
c[2] = 0.0;
c[3] = 0.0;
m_spthermo->install(pname, 0, SIMPLE, c, 0.0, 1.0E30, OneAtm);
freezeSpecies();
initThermo();
m_p0 = OneAtm;
m_tlast = 298.15;
setChemicalPotential(val);
// Create an XML_Node entry for this species
XML_Node* s = new XML_Node("species", 0);
s->addAttribute("name", pname);
std::string aaS = Ename + ":1";
s->addChild("atomArray", aaS);
XML_Node& tt = s->addChild("thermo");
XML_Node& ss = tt.addChild("Simple");
ss.addAttribute("Pref", "1 bar");
ss.addAttribute("Tmax", "5000.");
ss.addAttribute("Tmin", "100.");
ss.addChild("t0", "298.15");
ss.addChild("cp0", "0.0");
std::string sval = fp2str(val);
ss.addChild("h", sval);
ss.addChild("s", "0.0");
saveSpeciesData(0, s);
delete s;
s = 0;
}
FixedChemPotSSTP::FixedChemPotSSTP(const std::string& Ename, doublereal val) :
chemPot_(0.0)
{
std::string pname = Ename + "Fixed";
setID(pname);
setName(pname);
setNDim(3);
addElement(Ename);
auto sp = make_shared<Species>(pname, parseCompString(Ename + ":1.0"));
double c[4] = {298.15, val, 0.0, 0.0};
shared_ptr<SpeciesThermoInterpType> stit(
newSpeciesThermoInterpType("const_cp", 0.1, 1e30, OneAtm, c));
sp->thermo = stit;
addSpecies(sp);
initThermo();
m_p0 = OneAtm;
m_tlast = 298.15;
setChemicalPotential(val);
// Create an XML_Node entry for this species
XML_Node s("species", 0);
s.addAttribute("name", pname);
std::string aaS = Ename + ":1";
s.addChild("atomArray", aaS);
XML_Node& tt = s.addChild("thermo");
XML_Node& ss = tt.addChild("Simple");
ss.addAttribute("Pref", "1 bar");
ss.addAttribute("Tmax", "5000.");
ss.addAttribute("Tmin", "100.");
ss.addChild("t0", "298.15");
ss.addChild("cp0", "0.0");
std::string sval = fp2str(val);
ss.addChild("h", sval);
ss.addChild("s", "0.0");
saveSpeciesData(0, &s);
}
/*
* @param right Object to be copied
*/
EdgePhase::EdgePhase(const EdgePhase & right) :
SurfPhase(right.m_n0)
{
setNDim(1);
*this = operator=(right);
}
// Default constructor
EdgePhase::EdgePhase(doublereal n0) : SurfPhase(n0) {
setNDim(1);
}
EdgePhase::EdgePhase(const EdgePhase& right) :
SurfPhase(right.m_n0)
{
setNDim(1);
*this = right;
}
