Input restrictions for EFGF lifted and some general refactoring and fixing#20

Merged

JonasSchaub merged 27 commits intoproductionfrom input_restrictions

Feb 2, 2024

+2,116-1,471

Commits on Jan 5, 2024

Commented-out input restrictions;
JonasSchaub
committed
Moved test classes into the same folder as the tested classes; moved test resources into the respective package structure; added tests to EFGFTest for cases that formerly represented illegal inputs;
JonasSchaub
committed

Commits on Jan 8, 2024

Commits on Jan 9, 2024

Continued refactoring;
JonasSchaub
committed

Commits on Jan 10, 2024

Commits on Jan 11, 2024

Overhaul of expandGeneralizedEnvironments, WIP
JonasSchaub
committed

Commits on Jan 12, 2024

Commits on Jan 16, 2024

Commits on Jan 17, 2024

Commits on Jan 22, 2024

Added molecule from test find 1 to test for extracting only marked atoms;
JonasSchaub
committed

Commits on Jan 24, 2024

Test for charge neutralization;
JonasSchaub
committed

Commits on Jan 31, 2024

Started cleaning up tests;
JonasSchaub
committed

Commits on Feb 1, 2024

Commits on Feb 2, 2024