diff --git a/package/CHANGELOG b/package/CHANGELOG index 83bff74002..ea121a9f19 100644 --- a/package/CHANGELOG +++ b/package/CHANGELOG @@ -14,11 +14,12 @@ The rules for this file: ------------------------------------------------------------------------------- -??/??/?? IAlibay, ChiahsinChu, RMeli +??/??/?? IAlibay, ChiahsinChu, RMeli, tanishy7777 * 2.9.0 Fixes + * Fixes deprecation warning Array to scalar convertion. Replaced atan2() with np.arctan2() Enhancements * Add check and warning for empty (all zero) coordinates in RDKit converter (PR #4824) diff --git a/package/MDAnalysis/analysis/nuclinfo.py b/package/MDAnalysis/analysis/nuclinfo.py index 0a8a3f6aa4..173a200bb5 100644 --- a/package/MDAnalysis/analysis/nuclinfo.py +++ b/package/MDAnalysis/analysis/nuclinfo.py @@ -299,7 +299,7 @@ def phase_cp(universe, seg, i): + (r3_d * cos(4 * pi * 2.0 / 5.0)) + (r4_d * cos(4 * pi * 3.0 / 5.0)) + (r5_d * cos(4 * pi * 4.0 / 5.0))) * sqrt(2.0 / 5.0) - phase_ang = (atan2(D, C) + (pi / 2.)) * 180. / pi + phase_ang = (np.arctan2(D, C) + (pi / 2.)) * 180. / pi return phase_ang % 360