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Reverting to version released to ERDC so it can be tagged
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jwbullard committed Dec 24, 2022
1 parent 18c01c4 commit 146cd6a
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Showing 3 changed files with 80 additions and 360 deletions.
67 changes: 15 additions & 52 deletions src/thameslib/ChemicalSystem.h
Original file line number Diff line number Diff line change
Expand Up @@ -1467,18 +1467,18 @@ unsigned int getDCId (const string &dcname)
if (p != DCIdLookup_.end()) {
return p->second;
} else {
// cout << "WARNING: Could not find DCIdLookup_ match to " << dcname << endl;
// cout << "WARNING: Here are the ones I know about:" << endl;
// cout.flush();
// p = DCIdLookup_.begin();
// while (p != DCIdLookup_.end()) {
// cout << "WARNING: " << p->first << " ("
// << p->second << ")" << endl;
// cout.flush();
// p++;
// }
// cout << "WARNING:" << endl;
// cout.flush();
cout << "WARNING: Could not find DCIdLookup_ match to " << dcname << endl;
cout << "WARNING: Here are the ones I know about:" << endl;
cout.flush();
p = DCIdLookup_.begin();
while (p != DCIdLookup_.end()) {
cout << "WARNING: " << p->first << " ("
<< p->second << ")" << endl;
cout.flush();
p++;
}
cout << "WARNING:" << endl;
cout.flush();
return (numDCs_ + 9999);
}
}
Expand Down Expand Up @@ -4851,6 +4851,8 @@ double getDCChemicalPotential (const long int dcidx, bool norm = false)
/**
@brief Get the chemical activity of a dependent component (DC).
@note NOT USED.
@param dcidx is the index of the DC being queried
@return the chemical activity of the DC
*/
Expand All @@ -4859,25 +4861,10 @@ double getDCActivity (const long int dcidx)
return (node_->Get_aDC(dcidx));
}

/**
@brief Get the chemical activity of a dependent component (DC) by name
@param dcname is the name of the DC being queried
@return the chemical activity of the DC
*/
double getDCActivity (const string &dcname)
{
int dcidx = getDCId(dcname);
if (dcidx < numDCs_) {
return (node_->Get_aDC(dcidx));
}
return(0.0);
}

/**
@brief Get the concentration of a dependent component (DC).
The units of the returned value depend on the type of DC being queried:
The units of the returned value depend on the typd of DC being queried:
- Aqueous species [molal]
- Gas species [partial pressure]
Expand All @@ -4894,30 +4881,6 @@ double getDCConcentration (const long int dcidx)
return (node_->Get_cDC(dcidx));
}

/**
@brief Get the concentration of a dependent component (DC) by name
The units of the returned value depend on the type of DC being queried:
- Aqueous species [molal]
- Gas species [partial pressure]
- Surface complexes [mol/m<sup>2</sup>]
- Species in other phases [mole fraction]
Will return a value of zero if the DC does not exist
@param dcname is the name of the DC component begin queried
@return the concentration of the DC in appropriate units
*/
double getDCConcentration (const string &dcname)
{
int dcidx = getDCId(dcname);
if (dcidx < numDCs_) {
return (node_->Get_cDC(dcidx));
}
return(0.0);
}

/**
@brief Set the red channel in the rgb triplet for color of a microstructure phase.
Expand Down
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