code and unit test for salt bridge tool #121
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SamCox822
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qcampbel
reviewed
Apr 24, 2024
…altbridge_code
brittyscience
changed the title
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this branch has some conflicts -- can you resolve it? (see "Resolve conflicts" below). I think it's from merging main after we organize tools in alphabetical order. |
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It is ready and fixed after some polishing ups. Can someone please review it so I can see my very first tool officially joining the club? 🥇 |
Jgmedina95
reviewed
Jun 17, 2024
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@brittyscience is this ready for review? |
…altbridge_code
SamCox822
requested changes
Jun 26, 2024
…saltbridge_code
Co-authored-by: Sam Cox <swrig30@ur.rochester.edu>
Co-authored-by: Sam Cox <swrig30@ur.rochester.edu>
Co-authored-by: Sam Cox <swrig30@ur.rochester.edu>
Jgmedina95
reviewed
Mar 3, 2025
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| def plot_salt_bridge_counts(self): | ||
| if not self.salt_bridge_data or self.traj.n_frames == 1 or self.specific_frame: | ||
| print("i'm here") |
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haha remove debugging prints
Jgmedina95
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Mar 3, 2025
SamCox822
approved these changes
Mar 3, 2025
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A fair warning, this branch failed commit, I told it to ignore the pre commit hooks so I can get the code pushed to git hub. This tool is still a work in progress.