CommandMinimize::CommandMinimize(string systemName, string section) : Command(systemName + "-minimize", section)
{
format = "<key1> <value1> <key2> <value2> ...";
comments = "where possible keys and value types are:"
+ addDescriptions(mpmMap.optionList(), linkDescription(mpmMap, mpmDescMap))
+ "\n\nAny number of these key-value pairs may be specified in any order.";
hasDefault = true;
}
void DTViewClass::load()
//----------------------
{
WVList dataMembers;
WVList methods;
WVList friends;
int i;
WString str;
ClassType * cls = (ClassType *) _symbol;
Symbol * s;
_members->clearAndDestroy();
cls->dataMembers( dataMembers );
cls->memberFunctions( methods );
cls->friendFunctions( friends );
for( i = 0; i < friends.count(); i += 1 ) {
s = (Symbol *) friends[ i ];
str.printf( " friend %s;", s->scopedName( FALSE ) );
_members->insert( new ClassMember( s, str.gets() ) );
}
for( i = 0; i < dataMembers.count(); i += 1 ) {
s = (Symbol *) dataMembers[ i ];
str.printf( " %s;", s->scopedName( FALSE ) );
_members->insert( new ClassMember( s, str.gets() ) );
}
for( i = 0; i < methods.count(); i += 1 ) {
s = (Symbol *) methods[ i ];
str.printf( " %s;", s->scopedName( FALSE ) );
_members->insert( new ClassMember( s, str.gets() ) );
}
addDescriptions();
fillBox();
}
FCM_quad_nBeta, "quad_nBeta",
FCM_quad_nAlpha, "quad_nAlpha",
FCM_quad_nGamma, "quad_nGamma",
FCM_translationMode,"translation",
FCM_Nnorm, "Nnorm"
);
EnumStringMap<FluidComponentMember> fcmDescMap
( FCM_epsBulk, "bulk dielectric constant",
FCM_pMol, "dipole moment of each molecule in e-bohr",
FCM_epsInf, "optical-frequency dielectric constant",
FCM_Pvap, "vapor pressure in Eh/bohr^3",
FCM_sigmaBulk, "bulk surface tension in Eh/bohr^2",
FCM_Rvdw, "effective van der Waals radius of the fluid (derived from equation of state) in bohrs",
FCM_Res, "electrostatic radius of solvent (derived from nonlocal response) in bohrs",
FCM_epsLJ, "Lennard-Jones well depth for Mean-Field LJ excess functional",
FCM_representation, "ideal gas representation: " + addDescriptions(representationMap.optionList(), nullDescription, "\n - "),
FCM_s2quadType, "orientation quadrature type:" + addDescriptions(s2quadTypeMap.optionList(), nullDescription, "\n - "),
FCM_quad_nBeta, "number of beta samples for Euler quadrature",
FCM_quad_nAlpha, "number of alpha samples for Euler quadrature",
FCM_quad_nGamma, "number of gamma samples for Euler quadrature",
FCM_translationMode, "translation operator type: " + addDescriptions(translationModeMap.optionList(), nullDescription, "\n - "),
FCM_Nnorm, "unit cell molecule count constraint"
);
//Abstract base class for fluid-solvent fluid-cation and fluid-anion
struct CommandFluidComponent : public Command
{
private:
const EnumStringMap<FluidComponent::Name>& nameMap;
FluidComponent::Name defaultName;
FluidComponent::Functional defaultFunctional;
