From 883c4df5e810849726a71e8718e07aa2fe33b5f3 Mon Sep 17 00:00:00 2001 From: Sam Dareska <37879103+samwaseda@users.noreply.github.com> Date: Fri, 9 Feb 2024 10:30:24 +0100 Subject: [PATCH 1/2] [minor] Make height available in plot3d Consistency with [this PR](https://github.com/pyiron/structuretoolkit/pull/132) --- pyiron_atomistics/atomistics/structure/atoms.py | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/pyiron_atomistics/atomistics/structure/atoms.py b/pyiron_atomistics/atomistics/structure/atoms.py index e8618d5e6..67c0a3f9d 100644 --- a/pyiron_atomistics/atomistics/structure/atoms.py +++ b/pyiron_atomistics/atomistics/structure/atoms.py @@ -1210,6 +1210,7 @@ def plot3d( view_plane=np.array([0, 0, 1]), distance_from_camera=1.0, opacity=1.0, + height=None, ): """ Plot3d relies on NGLView or plotly to visualize atomic structures. Here, we construct a string in the "protein database" @@ -1251,6 +1252,8 @@ def plot3d( call. (Default is np.array([0, 0, 1]), which is view normal to the x-y plane.) distance_from_camera (float): Distance of the camera from the structure. Higher = farther away. (Default is 14, which also seems to be the NGLView default value.) + height (int/float/None): height of the plot area in pixel (only + available in plotly) Default: 600 Possible NGLView color schemes: " ", "picking", "random", "uniform", "atomindex", "residueindex", @@ -1286,6 +1289,7 @@ def plot3d( view_plane=view_plane, distance_from_camera=distance_from_camera, opacity=opacity, + height=height, ) def pos_xyz(self): From 43ad257f9579aa2d8a6cde5ceaafe09cba0e7e53 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Wed, 14 Feb 2024 10:10:57 +0100 Subject: [PATCH 2/2] Update environment-old.yml --- .ci_support/environment-old.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.ci_support/environment-old.yml b/.ci_support/environment-old.yml index af02f4c6b..c687df7ab 100644 --- a/.ci_support/environment-old.yml +++ b/.ci_support/environment-old.yml @@ -20,4 +20,4 @@ dependencies: - scipy =1.11.1 - seekpath =1.9.5 - spglib =2.0.2 -- structuretoolkit =0.0.15 +- structuretoolkit =0.0.19