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feat: add function to query wether a cell id exists

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This commit is contained in:
Max Lübke 2024-10-23 11:06:33 +02:00
parent 20333ced36
commit 5478ade84e
3 changed files with 18 additions and 2 deletions
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10
poet/include/PhreeqcMatrix.hpp
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@ -9,6 +9,7 @@
#include <vector> #include <vector>
#include "IPhreeqc.hpp" #include "IPhreeqc.hpp"
#include "global_structures.h"
/** /**
* @brief Class for storing information from Phreeqc * @brief Class for storing information from Phreeqc
@ -258,6 +259,15 @@ public:
*/ */
std::string getDatabase() const; std::string getDatabase() const;
/**
* @brief Check if a cell with given ID exists in the PhreeqcMatrix.
*
* @param cell_id ID of the cell (user id from Phreeqc script) to check for.
* @return true Entry exists
* @return false Entry doesn't exist
*/
bool checkIfExists(int cell_id) const;
private: private:
std::map<int, std::vector<element>> _m_map; std::map<int, std::vector<element>> _m_map;
std::map<int, std::vector<base_names>> _m_internal_names; std::map<int, std::vector<base_names>> _m_internal_names;

7
poet/src/PhreeqcMatrix/Misc.cpp
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@ -1,5 +1,4 @@
#include "PhreeqcMatrix.hpp" #include "PhreeqcMatrix.hpp"
#include <cstddef>
std::vector<int> PhreeqcMatrix::getIds() const { std::vector<int> PhreeqcMatrix::getIds() const {
std::vector<int> ids; std::vector<int> ids;
@ -50,4 +49,8 @@ std::string PhreeqcMatrix::getDumpStringsPQI(int cell_id) const {
return dump_string; return dump_string;
} }
std::string PhreeqcMatrix::getDatabase() const { return _m_database; } std::string PhreeqcMatrix::getDatabase() const { return _m_database; }
bool PhreeqcMatrix::checkIfExists(int cell_id) const {
return this->_m_map.find(cell_id) != this->_m_map.end();
}

3
poet/test/testPhreeqcMatrix.cpp
View File

@ -21,6 +21,9 @@ POET_TEST(PhreeqcMatrixOneSolution) {
EXPECT_EQ(ids.size(), 1); EXPECT_EQ(ids.size(), 1);
EXPECT_EQ(ids[0], 1); EXPECT_EQ(ids[0], 1);
EXPECT_TRUE(pqc_mat.checkIfExists(1));
EXPECT_FALSE(pqc_mat.checkIfExists(2));
PhreeqcMatrix::STLExport exported_init = pqc_mat.get(); PhreeqcMatrix::STLExport exported_init = pqc_mat.get();
// ID + H,O,Charge,H(0),O(0) + 4 Solutions + 4 Equil incl. params // ID + H,O,Charge,H(0),O(0) + 4 Solutions + 4 Equil incl. params
EXPECT_EQ(exported_init.names.size(), 14); EXPECT_EQ(exported_init.names.size(), 14);