diff --git a/docs/source/CHANGELOG.md b/docs/source/CHANGELOG.md index c89dcda..38b67dc 100644 --- a/docs/source/CHANGELOG.md +++ b/docs/source/CHANGELOG.md @@ -7,6 +7,13 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ## [unreleased] +## [3.7.1] - 2024.01.14 + +### Fix + +- Remove an unnecessary print statement. + + ## [3.7.0] - 2024.01.14 ### Fixed @@ -464,7 +471,8 @@ Print the starting date when MolDrug is called from the command line. - Minor code cleaning. - Better code covered during testing -[unreleased]: https://github.com/ale94mleon/MolDrug/compare/3.7.0...HEAD +[unreleased]: https://github.com/ale94mleon/MolDrug/compare/3.7.1...HEAD +[3.7.1]: https://github.com/ale94mleon/MolDrug/compare/3.7.0...3.7.1 [3.7.0]: https://github.com/ale94mleon/MolDrug/compare/3.6.1...3.7.0 [3.6.1]: https://github.com/ale94mleon/MolDrug/compare/3.6.0...3.6.1 [3.6.0]: https://github.com/ale94mleon/MolDrug/compare/3.5.0...3.6.0 diff --git a/src/moldrug/_version.py b/src/moldrug/_version.py index 46f67e7..975f691 100644 --- a/src/moldrug/_version.py +++ b/src/moldrug/_version.py @@ -1 +1 @@ -__version__ = "3.7.0" +__version__ = "3.7.1" diff --git a/src/moldrug/constraintconf.py b/src/moldrug/constraintconf.py index 3b93082..9f51379 100644 --- a/src/moldrug/constraintconf.py +++ b/src/moldrug/constraintconf.py @@ -230,7 +230,6 @@ def clashes_present(coords1: np.ndarray, coords2: np.ndarray, clash_distance_thr """ coords1_np = np.array(coords1) coords2_np = np.array(coords2) - print(coords1_np) # Calculate distances using NumPy broadcasting distances = np.linalg.norm(coords1_np[:, np.newaxis, :] - coords2_np, axis=2)