changed from using ctvector to using std::vector. Required replacing v.begin() in many places by &v[0]. Macro DATA_PTR(v) defined for readability.
This commit is contained in:
parent
f5ffa16a48
commit
642553148d
5 changed files with 24 additions and 26 deletions
|
|
@ -211,13 +211,13 @@ namespace Cantera {
|
|||
m_molalities[k] *= tmp;
|
||||
}
|
||||
}
|
||||
setMoleFractions(m_molalities.begin());
|
||||
setMoleFractions(DATA_PTR(m_molalities));
|
||||
/*
|
||||
* Essentially we don't trust the input: We calculate
|
||||
* the molalities from the mole fractions that we
|
||||
* just obtained.
|
||||
*/
|
||||
getMolalities(m_molalities.begin());
|
||||
getMolalities(DATA_PTR(m_molalities));
|
||||
}
|
||||
|
||||
/*
|
||||
|
|
@ -235,7 +235,7 @@ namespace Cantera {
|
|||
* Get a vector of mole fractions
|
||||
*/
|
||||
vector_fp mf(kk, 0.0);
|
||||
getMoleFractions(mf.begin());
|
||||
getMoleFractions(DATA_PTR(mf));
|
||||
double xmolS = mf[m_indexSolvent];
|
||||
double xmolSmin = max(xmolS, m_xmolSolventMIN);
|
||||
compositionMap::iterator p;
|
||||
|
|
@ -300,13 +300,13 @@ namespace Cantera {
|
|||
for (int k = 0; k < kk; k++) {
|
||||
mf[k] *= sum;
|
||||
}
|
||||
setMoleFractions(mf.begin());
|
||||
setMoleFractions(DATA_PTR(mf));
|
||||
/*
|
||||
* After we formally set the mole fractions, we
|
||||
* calculate the molalities again and store it in
|
||||
* this object.
|
||||
*/
|
||||
getMolalities(m_molalities.begin());
|
||||
getMolalities(DATA_PTR(m_molalities));
|
||||
}
|
||||
|
||||
/*
|
||||
|
|
@ -330,7 +330,7 @@ namespace Cantera {
|
|||
* species.
|
||||
*/
|
||||
void MolalityVPSSTP::updateMolalities() const {
|
||||
getMolalities(m_molalities.begin());
|
||||
getMolalities(DATA_PTR(m_molalities));
|
||||
}
|
||||
|
||||
|
||||
|
|
@ -405,7 +405,7 @@ namespace Cantera {
|
|||
*/
|
||||
doublereal MolalityVPSSTP::osmoticCoefficient() const {
|
||||
vector_fp act(m_kk);
|
||||
getActivities(act.begin());
|
||||
getActivities(DATA_PTR(act));
|
||||
double sum = 0;
|
||||
for (int k = 0; k < m_kk; k++) {
|
||||
if (k != m_indexSolvent) {
|
||||
|
|
|
|||
|
|
@ -3,10 +3,9 @@
|
|||
*
|
||||
* Header file for a derived class of ThermoPhase that handles
|
||||
* variable pressure standard state methods for calculating
|
||||
* thermodynamic properties that are further based upon
|
||||
* activities based on the molality scale.
|
||||
* These include most of the
|
||||
* methods for calculating liquid electrolyte thermodynamics.
|
||||
* thermodynamic properties that are further based upon activities
|
||||
* based on the molality scale. These include most of the methods for
|
||||
* calculating liquid electrolyte thermodynamics.
|
||||
*/
|
||||
/*
|
||||
* Copywrite (2005) Sandia Corporation. Under the terms of
|
||||
|
|
@ -31,12 +30,11 @@ namespace Cantera {
|
|||
*/
|
||||
|
||||
/**
|
||||
* MolalityVPSSTP is a derived class of ThermoPhase that handles
|
||||
* MolalityVPSSTP is a derived class of ThermoPhase that handles
|
||||
* variable pressure standard state methods for calculating
|
||||
* thermodynamic properties that are further based upon
|
||||
* activities based on the molality scale.
|
||||
* These include most of the
|
||||
* methods for calculating liquid electrolyte thermodynamics.
|
||||
* thermodynamic properties that are further based upon activities
|
||||
* based on the molality scale. These include most of the methods
|
||||
* for calculating liquid electrolyte thermodynamics.
|
||||
*/
|
||||
class MolalityVPSSTP : public VPStandardStateTP {
|
||||
|
||||
|
|
|
|||
|
|
@ -546,8 +546,8 @@ namespace Cantera {
|
|||
void SingleSpeciesTP::_updateThermo() const {
|
||||
doublereal tnow = temperature();
|
||||
if (m_tlast != tnow) {
|
||||
m_spthermo->update(tnow, m_cp0_R.begin(), m_h0_RT.begin(),
|
||||
m_s0_R.begin());
|
||||
m_spthermo->update(tnow, DATA_PTR(m_cp0_R), DATA_PTR(m_h0_RT),
|
||||
DATA_PTR(m_s0_R));
|
||||
m_tlast = tnow;
|
||||
}
|
||||
}
|
||||
|
|
|
|||
|
|
@ -285,8 +285,8 @@ namespace Cantera {
|
|||
void VPStandardStateTP::_updateRefStateThermo() const {
|
||||
doublereal tnow = temperature();
|
||||
if (m_tlast != tnow) {
|
||||
m_spthermo->update(tnow, m_cp0_R.begin(), m_h0_RT.begin(),
|
||||
m_s0_R.begin());
|
||||
m_spthermo->update(tnow, DATA_PTR(m_cp0_R), DATA_PTR(m_h0_RT),
|
||||
DATA_PTR(m_s0_R));
|
||||
m_tlast = tnow;
|
||||
for (int k = 0; k < m_kk; k++) {
|
||||
m_g0_RT[k] = m_h0_RT[k] - m_s0_R[k];
|
||||
|
|
|
|||
|
|
@ -35,13 +35,12 @@ namespace Cantera {
|
|||
* In addition support for the molality unit scale is provided.
|
||||
*
|
||||
* Currently, it really is just a shell. The ThermoPhase object
|
||||
* itself is based around the general concepts of
|
||||
* itself is based around the general concepts of
|
||||
* VPStandardStateTP. Therefore, there really isn't much going
|
||||
* on here.
|
||||
* However, this may change. The ThermoPhase object itself
|
||||
* could change. Additionally, this object may revolve around
|
||||
* the molality unit scale in the near future. We will have to see
|
||||
* how things fare.
|
||||
* on here. However, this may change. The ThermoPhase object
|
||||
* itself could change. Additionally, this object may revolve
|
||||
* around the molality unit scale in the near future. We will
|
||||
* have to see how things fare.
|
||||
*/
|
||||
|
||||
class VPStandardStateTP : public ThermoPhase {
|
||||
|
|
@ -56,6 +55,7 @@ namespace Cantera {
|
|||
|
||||
/// Assignment operator
|
||||
VPStandardStateTP& operator=(const VPStandardStateTP &);
|
||||
|
||||
/// Destructor.
|
||||
virtual ~VPStandardStateTP();
|
||||
|
||||
|
|
|
|||
Loading…
Add table
Reference in a new issue