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Updated PHREEQCPP to have precipitate_only option for pp_assemblage.

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git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3200 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst 2008-11-24 17:44:38 +00:00
parent cefe071f17
commit e398c418f0
2 changed files with 39 additions and 0 deletions
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38
PPassemblageComp.cxx
View File

@ -33,6 +33,7 @@ cxxPPassemblageComp::cxxPPassemblageComp()
initial_moles = 0;
force_equality = false;
dissolve_only = false;
precipitate_only = false;
}
cxxPPassemblageComp::cxxPPassemblageComp(struct pure_phase * pure_phase_ptr)
@ -87,6 +88,7 @@ cxxPPassemblageComp::cxxPPassemblageComp2pure_phase(std::list <
pure_phase_ptr[i].initial_moles = it->initial_moles;
pure_phase_ptr[i].force_equality = (int) it->force_equality;
pure_phase_ptr[i].dissolve_only = (int) it->dissolve_only;
pure_phase_ptr[i].precipitate_only = (int) it->precipitate_only;
i++;
}
return (pure_phase_ptr);
@ -120,6 +122,8 @@ cxxPPassemblageComp::dump_xml(std::ostream & s_oss, unsigned int indent) const
force_equality << "\"" << std::endl;
s_oss << indent0 << "dissolve_only=\"" << this->
dissolve_only << "\"" << std::endl;
s_oss << indent0 << "precipitate_only=\"" << this->
precipitate_only << "\"" << std::endl;
}
@ -154,6 +158,8 @@ cxxPPassemblageComp::dump_raw(std::ostream & s_oss, unsigned int indent) const
force_equality << std::endl;
s_oss << indent0 << "-dissolve_only " << this->
dissolve_only << std::endl;
s_oss << indent0 << "-precipitate_only " << this->
precipitate_only << std::endl;
}
void
@ -173,6 +179,7 @@ cxxPPassemblageComp::read_raw(CParser & parser)
vopts.push_back("initial_moles"); // 5
vopts.push_back("dissolve_only"); // 6
vopts.push_back("force_equality"); // 7
vopts.push_back("precipitate_only"); // 8
}
std::istream::pos_type ptr;
@ -188,6 +195,7 @@ cxxPPassemblageComp::read_raw(CParser & parser)
bool initial_moles_defined(false);
bool dissolve_only_defined(false);
bool force_equality_defined(false);
bool precipitate_only_defined(false);
for (;;)
{
@ -294,6 +302,10 @@ cxxPPassemblageComp::read_raw(CParser & parser)
CParser::OT_CONTINUE);
}
dissolve_only_defined = true;
if (this->dissolve_only)
{
this->precipitate_only = false;
}
break;
case 7: // force_equality
@ -306,6 +318,21 @@ cxxPPassemblageComp::read_raw(CParser & parser)
}
force_equality_defined = true;
break;
case 8: // precipitate_only
if (!(parser.get_iss() >> this->precipitate_only))
{
this->precipitate_only = false;
parser.incr_input_error();
parser.error_msg("Expected boolean value for precipitate_only.",
CParser::OT_CONTINUE);
}
precipitate_only_defined = true;
if (this->precipitate_only)
{
this->dissolve_only = false;
}
break;
}
if (opt == CParser::OPT_EOF || opt == CParser::OPT_KEYWORD)
break;
@ -349,6 +376,15 @@ cxxPPassemblageComp::read_raw(CParser & parser)
error_msg("Dissolve_only not defined for PPassemblageComp input.",
CParser::OT_CONTINUE);
}
/* don't check to maintain backward compatibility
if (precipitate_only_defined == false)
{
parser.incr_input_error();
parser.
error_msg("Precipitate_only not defined for PPassemblageComp input.",
CParser::OT_CONTINUE);
}
*/
if (force_equality_defined == false)
{
parser.incr_input_error();
@ -374,6 +410,7 @@ cxxPPassemblageComp::mpi_pack(std::vector < int >&ints,
doubles.push_back(this->initial_moles);
ints.push_back((int) this->force_equality);
ints.push_back((int) this->dissolve_only);
ints.push_back((int) this->precipitate_only);
}
void
@ -390,6 +427,7 @@ cxxPPassemblageComp::mpi_unpack(int *ints, int *ii, double *doubles, int *dd)
this->initial_moles = doubles[d++];
this->force_equality = (ints[i++] != 0);
this->dissolve_only = (ints[i++] != 0);
this->precipitate_only = (ints[i++] != 0);
*ii = i;
*dd = d;
}

1
PPassemblageComp.h
View File

@ -60,6 +60,7 @@ class cxxPPassemblageComp
double initial_moles;
bool force_equality;
bool dissolve_only;
bool precipitate_only;
cxxNameDouble totals;
public: