30 Commits

Author	SHA1	Message	Date
Max Luebke	1b12899ffb	Selected Output: First prototype with successfull exisiting tests	2025-09-23 13:15:16 +02:00
Marco De Lucia	22e1fae555	MDL/golem: some cosmetic fixes	2025-07-28 20:16:08 +02:00
Marco De Lucia	6864285820	MDL/golem: added bunch of getMatrix* getters and poet/test/testGetters.cpp	2025-07-28 20:02:35 +02:00
Max Lübke	8ec2e55779	feat: Optional redox states of species in solution	2024-12-18 17:12:07 +01:00
Max Luebke	46e166c678	feat: add option to include H(0) and O(0) in PhreeqcMatrix constructor and related functions	2024-12-16 10:22:12 +01:00
Max Luebke	2cdfad0e9f	refactor: reorganize includes and forward declarations in PhreeqcKnobs and PhreeqcMatrix	2024-12-05 18:09:24 +00:00
Max Lübke	38268b4aad	feat: add support for ignoring specified cells in simulation run	2024-12-04 09:06:40 +00:00
Max Lübke	d19d0bc695	feat: integrate PhreeqcKnobs into PhreeqcMatrix; add getKnobs method and update Engine initialization	2024-12-03 08:07:15 +00:00
Max Lübke	863fb146c8	feat: add PhreeqcKnobs class for managing knob parameters; update CMakeLists.txt and add tests	2024-12-03 08:00:37 +00:00
Max Lübke	cb4a64efbb	refactor: remove unused includes from PhreeqcMatrix.hpp and Phreeqc.h	2024-12-03 06:53:14 +00:00
Max Lübke	52493bf4f4	feat: add PhreeqcRunner class and integrate with PhreeqcMatrix; refactor constructors and update CMakeLists.txt	2024-11-22 13:57:13 +00:00
Max Lübke	969a4cbefd	refactor: add default destructor for PhreeqcMatrix class	2024-11-08 12:46:59 +01:00
Max Lübke	5478ade84e	feat: add function to query wether a cell id exists	2024-10-23 11:06:33 +02:00
Max Lübke	26f6e11177	feat: add H(0) and O(0) to solution list ... refactor: Remove knowledge on "fixed" solution entries from non-wrapper functions	2024-10-23 10:01:49 +02:00
Max Luebke	ee940d20e4	Improve usability outside POET	2024-10-16 14:43:01 +02:00
Max Luebke	e3c3e890df	refactor: Enable std::map::contains only when cpp >= 20 is defined	2024-09-10 18:09:51 +02:00
Max Lübke	324810368e	feat: remove header dependency to c++20 features	2024-09-10 09:11:13 +02:00
Max Lübke	9ef1111a39	Update Documentation	2024-05-06 09:53:13 +00:00
Max Luebke	8bdbb7bf6b	BREAKING CHANGE: Add wrappers for reactants to get/set values	2024-05-06 09:53:00 +00:00
Max Luebke	c645eea842	Add getSolutionNames() method to IPhreeqcPOET.hpp	2024-04-03 12:28:08 +00:00
Max Luebke	a554c3fa4f	Fix reset of cell queue pointer	2024-04-03 10:45:41 +00:00
Max Luebke	3e43e0e6db	Fix cell copy functionality in constructor	2024-04-02 11:33:14 +00:00
Max Lübke	f695619875	Add queueCell, dequeueCells, runQueuedCells, setCell, and getCell methods	2024-03-28 14:23:05 +00:00
Max Lübke	d6e7130746	Update IPhreeqcPOET constructor to use LoadDatabaseString and RunString methods	2024-03-19 13:11:33 +00:00
Max Lübke	b34c327377	Refactor getModuleSizes method and remove commented code	2024-03-19 08:57:53 +00:00
Max Luebke	d92ab31765	Refactor API	2024-03-18 23:05:59 +01:00
Max Luebke	54136c8e0c	Add module sizes	2024-03-13 23:49:57 +01:00
Max Luebke	f3f86bb4ac	Add raw_dumps() function to IPhreeqcPOET.hpp	2024-03-13 16:55:00 +01:00
Max Luebke	9cb2aba57a	Add SolutionMapping struct and related methods to IPhreeqc and IPhreeqcPOET classes	2024-03-09 23:51:15 +01:00
Max Lübke	1a644baaba	Add poet library and related files	2024-03-08 15:27:52 +01:00