diff --git a/ChemistryLib/ChemicalSolverInterface.h b/ChemistryLib/ChemicalSolverInterface.h index e821496003a08fb17a86b5820ec4f5552e4abce6..17b1464d2484130833d0fb16a41d4a365e676208 100644 --- a/ChemistryLib/ChemicalSolverInterface.h +++ b/ChemistryLib/ChemicalSolverInterface.h @@ -23,7 +23,8 @@ public: std::vector<GlobalVector> const& interpolated_process_solutions) = 0; virtual void doWaterChemistryCalculation( - std::vector<GlobalVector*>& process_solutions, double const dt) = 0; + std::vector<GlobalVector> const& interpolated_process_solutions, + double const dt) = 0; virtual std::vector<GlobalVector*> getIntPtProcessSolutions() const = 0; diff --git a/ChemistryLib/PhreeqcIO.cpp b/ChemistryLib/PhreeqcIO.cpp index b9f08563af3f00142454ed109fc0f91b10ff8161..9944e6aa9fd91e9bd6bca0870e85f5a2c8d208df 100644 --- a/ChemistryLib/PhreeqcIO.cpp +++ b/ChemistryLib/PhreeqcIO.cpp @@ -143,7 +143,8 @@ std::vector<GlobalVector*> PhreeqcIO::getIntPtProcessSolutions() const } void PhreeqcIO::doWaterChemistryCalculation( - std::vector<GlobalVector*>& process_solutions, double const dt) + std::vector<GlobalVector> const& interpolated_process_solutions, + double const dt) { setAqueousSolution(interpolated_process_solutions); @@ -154,9 +155,6 @@ void PhreeqcIO::doWaterChemistryCalculation( execute(); readOutputsFromFile(); - - setAqueousSolutionsOrUpdateProcessSolutions( - process_solutions, Status::UpdatingProcessSolutions); } void PhreeqcIO::setAqueousSolution( diff --git a/ChemistryLib/PhreeqcIO.h b/ChemistryLib/PhreeqcIO.h index 38a1bfa79e853778bd735d3741bf7325b69b1f49..5ad64fb8998672b017514c383f0e830d2724d77d 100644 --- a/ChemistryLib/PhreeqcIO.h +++ b/ChemistryLib/PhreeqcIO.h @@ -51,7 +51,7 @@ public: interpolated_process_solutions) override; void doWaterChemistryCalculation( - std::vector<GlobalVector*>& process_solutions, + std::vector<GlobalVector> const& interpolated_process_solutions, double const dt) override; void setAqueousSolution( diff --git a/ChemistryLib/PhreeqcKernel.cpp b/ChemistryLib/PhreeqcKernel.cpp index 41827e610e8e27e21facac549f32129b73e4b027..a3c18a7f243ed4a568f81470f9926fd979213a9f 100644 --- a/ChemistryLib/PhreeqcKernel.cpp +++ b/ChemistryLib/PhreeqcKernel.cpp @@ -170,8 +170,11 @@ void PhreeqcKernel::reinitializeRates() } void PhreeqcKernel::doWaterChemistryCalculation( - std::vector<GlobalVector*>& process_solutions, double const dt) + std::vector<GlobalVector> const& /*interpolated_process_solutions*/, + double const dt) { + std::vector<GlobalVector*> process_solutions; + setAqueousSolutions(process_solutions); setTimeStepSize(dt); diff --git a/ChemistryLib/PhreeqcKernel.h b/ChemistryLib/PhreeqcKernel.h index 565725cd9fc9a21b96c06e87b026ad0eea1fb7dd..85f93a31a6e451b51b4647d5248d9f1ec0295d49 100644 --- a/ChemistryLib/PhreeqcKernel.h +++ b/ChemistryLib/PhreeqcKernel.h @@ -45,7 +45,7 @@ public: interpolated_process_solutions) override; void doWaterChemistryCalculation( - std::vector<GlobalVector*>& process_solutions, + std::vector<GlobalVector> const& interpolated_process_solutions, double const dt) override; void setAqueousSolutions(