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Getting there with adding REACTION_PRESSURE capabilities.
Still need to look at copy, dump, and maybe others. git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5844 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst
parent
8a678fa9e7
commit
4a7158c44b
57
Pressure.cxx
57
Pressure.cxx
@ -351,4 +351,59 @@ cxxPressure::dump_xml(std::ostream & s_oss, unsigned int indent) const const
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return;
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}
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#endif
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#endif
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/* ---------------------------------------------------------------------- */
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LDBLE cxxPressure::
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Pressure_for_step(int step_number)
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/* ---------------------------------------------------------------------- */
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{
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/*
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* Determine pressure of reaction step
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*/
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LDBLE p_temp;
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if (this->pressures.size() == 0)
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{
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p_temp = 1;
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}
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else if (this->equalIncrements)
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{
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if (this->pressures.size() != 2)
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{
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error_msg("Number of pressures not equal to 2 for equal increments.", 0);
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}
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if (step_number > this->count)
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{
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p_temp = this->pressures[1];
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}
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else
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{
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LDBLE denom;
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denom = (this->count <= 1) ? 1 : (LDBLE) (this->count - 1);
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p_temp = this->pressures[0] + ( this->pressures[1] - this->pressures[0]) *
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((LDBLE) (step_number - 1)) / (denom);
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}
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}
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else
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{
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if (step_number > (int) this->pressures.size())
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{
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p_temp = this->pressures[this->pressures.size() - 1];
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}
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else
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{
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p_temp = this->pressures[step_number - 1];
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}
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}
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return (p_temp);
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}
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int cxxPressure::
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Get_count(void) const
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{
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if (equalIncrements)
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{
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return this->count;
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}
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return (int) this->pressures.size();
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}
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@ -22,9 +22,9 @@ class cxxPressure:public cxxNumKeyword
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int read(CParser & parser);
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void read_raw(CParser & parser);
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LDBLE Pressure_for_step(int step_number);
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std::vector<double> & Get_pressures(void) {return pressures;};
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int Get_count(void) const {return count;};
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int Get_count(void) const;
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void Set_count(int i) {count = i;};
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bool Get_equalIncrements(void) const {return equalIncrements;};
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void Set_equalIncrements(bool tf) {equalIncrements = tf;};
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@ -2281,6 +2281,14 @@ run_as_cells(void)
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if (abs(use.temperature_ptr->count_t) > count_steps)
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count_steps = abs(use.temperature_ptr->count_t);
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}
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if (use.pressure_in == TRUE && use.pressure_ptr != NULL)
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{
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int count = ((cxxPressure *) use.pressure_ptr)->Get_count();
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if (count > count_steps)
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{
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count_steps = count;
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}
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}
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count_total_steps = count_steps;
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/*
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* save data for saving solutions
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@ -268,6 +268,7 @@ cxxStorageBin::Get_Temperature(int n_user)
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}
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return (NULL);
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}
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void
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cxxStorageBin::Set_Temperature(int n_user, cxxTemperature * entity)
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{
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@ -275,12 +276,33 @@ cxxStorageBin::Set_Temperature(int n_user, cxxTemperature * entity)
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return;
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Temperatures[n_user] = *entity;
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}
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void
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cxxStorageBin::Remove_Temperature(int n_user)
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{
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Temperatures.erase(n_user);
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}
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cxxPressure *
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cxxStorageBin::Get_Pressure(int n_user)
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{
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return Utilities::Reactant_find(this->Pressures, n_user);
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}
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void
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cxxStorageBin::Set_Pressure(int n_user, cxxPressure * entity)
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{
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if (entity == NULL)
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return;
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Pressures[n_user] = *entity;
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}
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void
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cxxStorageBin::Remove_Pressure(int n_user)
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{
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Pressures.erase(n_user);
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}
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const std::map < int, cxxSolution > &
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cxxStorageBin::Get_Solutions() const
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{
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@ -331,7 +353,11 @@ cxxStorageBin::Get_Temperatures() const
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{
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return this->Temperatures;
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}
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const std::map < int, cxxPressure > &
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cxxStorageBin::Get_Pressures() const
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{
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return this->Pressures;
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}
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#ifdef SKIP
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void
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cxxStorageBin::dump_xml(std::ostream & s_oss, unsigned int indent) const const
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@ -827,6 +853,9 @@ cxxStorageBin::Remove(int n)
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// Temperature
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this->Temperatures.erase(n);
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// Pressure
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this->Pressures.erase(n);
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}
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void
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cxxStorageBin::Clear(void)
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@ -862,6 +891,9 @@ cxxStorageBin::Clear(void)
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// Temperature
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this->Temperatures.clear();
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// Pressure
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this->Pressures.clear();
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}
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#ifdef SKIP
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cxxSolution *
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@ -1490,6 +1522,15 @@ cxxStorageBin::Set_System(struct Use *use_ptr)
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this->system.Set_Temperature(&(it->second));
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}
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}
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// reaction pressure
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if (use_ptr->pressure_ptr != NULL)
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{
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cxxPressure * p = Utilities::Reactant_find(this->Pressures, use_ptr->n_pressure_user);
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if (p != NULL)
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{
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this->system.Set_Pressure(p);
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}
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}
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}
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void
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cxxStorageBin::Set_System(int i)
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@ -1578,4 +1619,9 @@ cxxStorageBin::Set_System(int i)
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this->system.Set_Temperature(&(it->second));
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}
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}
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// reaction pressure
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{
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this->system.Set_Pressure(Utilities::Reactant_find(this->Pressures, i));
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}
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}
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@ -72,6 +72,10 @@ class cxxStorageBin: public PHRQ_base
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void Set_Temperature(int n_user, cxxTemperature * entity);
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void Remove_Temperature(int n_user);
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cxxPressure *Get_Pressure(int n_user);
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void Set_Pressure(int n_user, cxxPressure * entity);
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void Remove_Pressure(int n_user);
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cxxSystem &Get_System(void);
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void Set_System(struct Use *use_ptr);
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void Set_System(int i);
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@ -98,6 +102,7 @@ class cxxStorageBin: public PHRQ_base
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const std::map < int, cxxMix > &Get_Mixes() const;
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const std::map < int, cxxReaction > &Get_Reactions() const;
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const std::map < int, cxxTemperature > &Get_Temperatures() const;
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const std::map < int, cxxPressure > &Get_Pressures() const;
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cxxSystem & Get_system(void) {return system;};
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#ifdef USE_MPI
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@ -122,6 +127,7 @@ class cxxStorageBin: public PHRQ_base
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std::map < int, cxxMix > Mixes;
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std::map < int, cxxReaction > Reactions;
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std::map < int, cxxTemperature > Temperatures;
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std::map < int, cxxPressure > Pressures;
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cxxSystem system;
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};
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@ -29,6 +29,7 @@ PHRQ_base(io)
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this->mix = NULL;
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this->reaction = NULL;
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this->temperature = NULL;
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this->pressure = NULL;
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}
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cxxSystem::~cxxSystem(void)
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{
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@ -46,6 +47,7 @@ cxxSystem::Initialize(void)
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this->mix = NULL;
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this->reaction = NULL;
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this->temperature = NULL;
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this->pressure = NULL;
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}
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void
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cxxSystem::totalize(PHREEQC_PTR_ARG)
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6
System.h
6
System.h
@ -22,6 +22,7 @@ class cxxSSassemblage;
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class cxxSurface;
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class cxxReaction;
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class cxxTemperature;
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class cxxPressure;
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class cxxMix;
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class cxxSystem: public PHRQ_base
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@ -70,6 +71,10 @@ public:
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{
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this->temperature = entity;
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}
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void Set_Pressure(cxxPressure * entity)
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{
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this->pressure = entity;
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}
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void totalize(PHREEQC_PTR_ARG);
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cxxNameDouble &Get_Totals(void)
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{
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@ -87,6 +92,7 @@ protected:
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cxxMix * mix;
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cxxReaction * reaction;
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cxxTemperature * temperature;
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cxxPressure * pressure;
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cxxNameDouble totals;
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};
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