9 Commits

Author	SHA1	Message	Date
rastogi	c9a8fc8079	computeStats not working correctly, Unit Tests added	2025-09-01 12:39:01 +02:00
Max Lübke	afcb42bcaa	refactor: Rework deferred R function evaluation ... fix: Unique pointer behaviour of `global_rt_setup` was messed up	2024-09-12 11:40:03 +02:00
Max Lübke	e2a6cf3189	Refactor process to output as DataFrames	2024-04-10 10:24:00 +00:00
Max Luebke	5d46360c33	Remove doctest submodule and update gitmodules	2024-04-02 10:33:56 +00:00
Max Luebke	fe4d71f680	Update CMakeLists.txt and include headers in test files	2024-04-02 09:25:18 +00:00
Max Lübke	3613d52d1e	Update CMakeLists.txt and include headers in test files	2024-03-06 11:59:18 +01:00
Max Luebke	a5c8982b98	feat: implement SEXP export of Field structure ... feat: implement NamedVector based on Rcpp::NumericVector feat: remove hard coded checks and substitute by R hook functions, defined in the input script refactor: modify API of DHT_Wrapper/InterpolationModule to expect a work package structure, where input/output values are stored as 2D vectors test: add tests for NamedVector test: extend tests for Field	2023-08-17 10:51:54 +02:00
Max Luebke	999ecac139	feat: introduce LookupKey and rounding schemes ... feat: implement data clustering using PHT feat: implement interpolation refactor: use named vector for DHT species definition and significant digits data: remove unusable input scripts data: move Phreeqc database to benchmark dir refactor: rename dolomite benchmark directory refactor: remove DHT prop type from input script	2023-08-01 18:34:50 +02:00
Max Luebke	bac6a67702	test: add test cases for Field class	2023-03-03 15:41:11 +01:00