Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / rs-station/reciprocalspaceship issues and pull requests

#187 - Add return_edges argument to DataSet.assign_resolution_bins()

Pull Request - State: closed - Opened by JBGreisman over 2 years ago - 5 comments
Labels: API, enhancement

#186 - Update dependency gemmi to >=0.5.5, <=0.5.7

Pull Request - State: closed - Opened by renovate[bot] over 2 years ago - 1 comment
Labels: version

#185 - Update dependency pandas to >=1.2.0, <=1.5.3 - abandoned

Pull Request - State: closed - Opened by renovate[bot] over 2 years ago - 3 comments
Labels: version

#184 - rs.DataSet.assign_resolution_bins ought to return bin edges

Issue - State: closed - Opened by kmdalton over 2 years ago - 1 comment
Labels: API, enhancement

#183 - Add `DataSet.reindexing_ops` and `DataSet.find_twin_laws()`

Pull Request - State: closed - Opened by JBGreisman over 2 years ago - 1 comment
Labels: API, wishlist

#182 - `DataSet.to_numpy()` should use numpy dtypes whenever possible

Pull Request - State: closed - Opened by JBGreisman over 2 years ago - 1 comment
Labels: enhancement, MTZDtypes

#181 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 2 years ago - 1 comment

#180 - Update dependency pandas to >=1.2.0, <=1.4.4

Pull Request - State: closed - Opened by renovate[bot] over 2 years ago
Labels: version

#179 - Add `sample_rate` and `dmin` arguments to `DataSet.to_reciprocalgrid()`

Pull Request - State: closed - Opened by JBGreisman over 2 years ago - 8 comments
Labels: API, enhancement

#178 - Add `is_polar()` and `polar_axes()` to utility functions docs

Pull Request - State: closed - Opened by JBGreisman over 2 years ago
Labels: documentation

#176 - Add `is_polar()` utility for classifying polar space groups

Pull Request - State: closed - Opened by JBGreisman over 2 years ago - 1 comment

#175 - Add `sample_rate` or `resolution_cutoff` options for `to_reciprocalgrid`

Issue - State: closed - Opened by kmdalton over 2 years ago - 5 comments
Labels: good first issue, API, enhancement

#174 - Model-free alignment of isomorphous maps (alternative origins problem)

Pull Request - State: closed - Opened by JBGreisman over 2 years ago - 1 comment

#173 - Resolving indexing ambiguities when comparing datasets

Issue - State: open - Opened by JBGreisman over 2 years ago - 12 comments
Labels: API, wishlist

#172 - Update dependency gemmi to >=0.5.5, <=0.5.6

Pull Request - State: closed - Opened by renovate[bot] over 2 years ago - 1 comment
Labels: version

#171 - Handle symmetry ops that produce fractional HKLs in `apply_to_hkl()`

Pull Request - State: closed - Opened by JBGreisman over 2 years ago - 1 comment
Labels: bug

#170 - Updated functionality for `add_rfree` and `copy_rfree`

Pull Request - State: closed - Opened by dennisbrookner over 2 years ago - 1 comment
Labels: API, enhancement

#169 - provide seed for reproducible creation of Rfree flags

Issue - State: closed - Opened by dennisbrookner over 2 years ago - 2 comments
Labels: good first issue, enhancement

#168 - Missing function call signature from Jedi-VIM autocomplete library

Issue - State: closed - Opened by kmdalton over 2 years ago - 3 comments

#167 - About the methods naming like "compute_xxx" and "label_xxx"

Issue - State: closed - Opened by minhuanli over 2 years ago - 2 comments
Labels: question

#165 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 2 years ago - 1 comment

#164 - Add features to the add_rfree function

Pull Request - State: closed - Opened by minhuanli over 2 years ago - 4 comments
Labels: enhancement

#163 - Update dependency pandas to >=1.2.0, <=1.4.3

Pull Request - State: closed - Opened by renovate[bot] over 2 years ago
Labels: version

#162 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 2 years ago - 1 comment

#161 - Update actions/setup-python action to v4

Pull Request - State: closed - Opened by renovate[bot] over 2 years ago
Labels: version

#160 - Use gemmi method to implement `rs.utils.compute_structurefactor_multiplicity()`

Pull Request - State: closed - Opened by JBGreisman over 2 years ago - 1 comment

#159 - `rs.utils.copy_rfree()` should take `rfree_key` argument

Issue - State: closed - Opened by dennisbrookner over 2 years ago - 1 comment
Labels: API, enhancement

#158 - Update dependency gemmi to >=0.5.5, <=0.5.5

Pull Request - State: closed - Opened by renovate[bot] over 2 years ago - 2 comments
Labels: version

#157 - Add interface for setting project, crystal, and dataset names

Pull Request - State: closed - Opened by JBGreisman over 2 years ago - 3 comments
Labels: API

#156 - Add function to convert structure factor amplitudes to intensities to `algorithms` submodule

Pull Request - State: closed - Opened by dennisbrookner over 2 years ago - 6 comments
Labels: wishlist

#155 - pandas version issue?

Issue - State: closed - Opened by DHekstra over 2 years ago - 4 comments
Labels: bug, version

#154 - support ccp4 convention in add_rfree function

Issue - State: closed - Opened by minhuanli over 2 years ago - 3 comments
Labels: API, wishlist

#153 - Fix DataSeries test that generates a FutureWarning

Pull Request - State: closed - Opened by JBGreisman over 2 years ago
Labels: version

#152 - Speed up `DataSet.expand_to_p1()` by removing for loop

Pull Request - State: closed - Opened by JBGreisman over 2 years ago
Labels: enhancement, performance

#151 - pushing intensity.py and associated test

Pull Request - State: closed - Opened by dennisbrookner over 2 years ago - 7 comments

#150 - Add `DataSet.select_mtzdtype()` to subset `DataSet` by MTZ column type

Pull Request - State: closed - Opened by JBGreisman over 2 years ago - 3 comments
Labels: API, enhancement, MTZDtypes

#149 - Remove `DataSet.append()` due to upcoming deprecation in Pandas

Pull Request - State: closed - Opened by JBGreisman over 2 years ago - 1 comment
Labels: API

#148 - Converting Structure Factors to Intensities

Issue - State: closed - Opened by kmdalton over 2 years ago - 7 comments
Labels: good first issue, wishlist

#147 - Update documentation links to CCP4 MTZ column-types

Pull Request - State: closed - Opened by JBGreisman almost 3 years ago - 1 comment
Labels: documentation

#146 - Remove support for `DataSet.append()` due to pandas deprecation

Issue - State: closed - Opened by JBGreisman almost 3 years ago
Labels: API, version

#145 - Allow integer-backed columns with NaNs to be converted to float dtype

Pull Request - State: closed - Opened by JBGreisman almost 3 years ago - 1 comment
Labels: bug, MTZDtypes

#144 - Integer-backed columns with NaNs cannot be converted to float dtype

Issue - State: closed - Opened by JBGreisman almost 3 years ago - 1 comment
Labels: bug, MTZDtypes

#143 - Update dependency gemmi to >=0.4.2, <=0.5.4

Pull Request - State: closed - Opened by renovate[bot] almost 3 years ago - 1 comment
Labels: version

#142 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] almost 3 years ago - 1 comment

#141 - broken URL

Issue - State: closed - Opened by DHekstra almost 3 years ago - 1 comment
Labels: good first issue, documentation

#140 - Update codecov/codecov-action action to v3

Pull Request - State: closed - Opened by renovate[bot] almost 3 years ago
Labels: version

#139 - Update dependency pandas to >=1.2.0, <=1.4.2

Pull Request - State: closed - Opened by renovate[bot] almost 3 years ago - 1 comment
Labels: version

#138 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] almost 3 years ago

#137 - Update dependency gemmi to >=0.5.3, <=0.5.3

Pull Request - State: closed - Opened by renovate[bot] almost 3 years ago
Labels: version

#136 - Fixed `read_precognition()` as per #135 and updated tests

Pull Request - State: closed - Opened by dennisbrookner almost 3 years ago - 4 comments

#135 - `rs.read_precognition()`: Update docstring and set `spacegroup` after parsing log

Issue - State: closed - Opened by JBGreisman almost 3 years ago - 3 comments
Labels: bug, documentation

#134 - Adding a warning to apply_symop()

Issue - State: closed - Opened by DHekstra almost 3 years ago - 4 comments
Labels: bug, enhancement

#133 - Update actions/checkout action to v3

Pull Request - State: closed - Opened by renovate[bot] almost 3 years ago - 1 comment
Labels: version

#132 - Update actions/setup-python action to v3

Pull Request - State: closed - Opened by renovate[bot] almost 3 years ago
Labels: version

#131 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 3 years ago - 1 comment

#130 - Update dependency gemmi to >=0.4.2, <=0.5.2

Pull Request - State: closed - Opened by renovate[bot] about 3 years ago
Labels: version

#129 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 3 years ago - 1 comment

#128 - Raise ValueError when stack_anomalous() will result in duplicate column names

Pull Request - State: closed - Opened by dennisbrookner about 3 years ago - 1 comment

#127 - Update dependency pandas to >=1.2.0, <=1.4.1

Pull Request - State: closed - Opened by renovate[bot] about 3 years ago - 2 comments
Labels: version

#126 - DataSet.stack_anomalous Fails for duplicate column names

Issue - State: closed - Opened by kmdalton about 3 years ago - 3 comments
Labels: bug, API

#125 - Defer pytorch installation to example notebook to speed up binder launch

Pull Request - State: closed - Opened by JBGreisman about 3 years ago - 1 comment
Labels: documentation

#124 - Add `[examples]` dependencies to simplify installation for binder

Pull Request - State: closed - Opened by JBGreisman about 3 years ago

#123 - Launching Binder is _really_ slow.

Issue - State: closed - Opened by kmdalton about 3 years ago - 10 comments

#118 - Add `stats` submodule with `compute_completeness()` function

Pull Request - State: closed - Opened by JBGreisman about 3 years ago - 4 comments
Labels: API, enhancement

#104 - DataSet.select_dtypes does not support custom dtypes

Issue - State: closed - Opened by kmdalton over 3 years ago - 2 comments
Labels: good first issue, API, enhancement, MTZDtypes

#103 - MTZ data set hierarchy?

Issue - State: closed - Opened by DHekstra over 3 years ago - 2 comments
Labels: API

#78 - Add Support for Reading DIALS `refl` Files

Issue - State: closed - Opened by kmdalton over 3 years ago - 4 comments
Labels: API, wishlist, MTZDtypes

#65 - Add support for anomalous data to DataSet.to_reciprocalgrid()

Issue - State: open - Opened by JBGreisman over 3 years ago - 5 comments
Labels: API, enhancement

#59 - Add a function to compute completeness

Issue - State: closed - Opened by kmdalton over 3 years ago - 8 comments
Labels: API, enhancement

#57 - Add method to compute normalized structure factors

Issue - State: closed - Opened by JBGreisman almost 4 years ago - 1 comment
Labels: enhancement

#33 - Invoking to_numpy on 2D array returns object dtype

Issue - State: closed - Opened by kmdalton about 4 years ago - 3 comments
Labels: MTZDtypes

#31 - Align Phases of Isomorphous Structures

Issue - State: open - Opened by kmdalton about 4 years ago - 26 comments
Labels: wishlist

#5 - Make changing spacegroups easy

Issue - State: open - Opened by kmdalton over 4 years ago - 7 comments
Labels: wishlist