Skip to content

Commit 54cfb9c

Browse files
committed
documentation improvements
- changed the labels in the vesicles dataset to match documentation (1.75M -> 1_75M, 3.5M -> 3_5M) - all dataset descriptions now contain *number of trajectories* information (all future dataset descr.rst should also include it)
1 parent eba9751 commit 54cfb9c

7 files changed

Lines changed: 13 additions & 6 deletions

File tree

CHANGELOG.md

Lines changed: 4 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -6,7 +6,11 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
66

77
## [Unreleased]
88
### Fixes
9+
- all dataset descriptions now contain *number of trajectories*
10+
information
911

12+
### Changes
13+
- changed the labels in the vesicles dataset to match documentation
1014

1115
## [0.2.1] - 2018-10-05
1216
### Added

MDAnalysisData/descr/adk_equilibrium.rst

Lines changed: 1 addition & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -21,6 +21,7 @@ Notes
2121
Data set characteristics:
2222

2323
:size: 161 MB
24+
:number of trajectories: 1
2425
:number of frames: 4187
2526
:number of particles: 3341
2627
:creator: Sean Seyler

MDAnalysisData/descr/adk_transitions_DIMS.rst

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -25,8 +25,8 @@ Notes
2525
Data set characteristics:
2626

2727
:size: 757 MB
28+
:number of trajectories: 200
2829
:number of frames: varies
29-
:number of trajectories: 200
3030
:number of atoms: 3341
3131
:creator: Sean L. Seyler
3232
:URL: `https://doi.org/10.6084/m9.figshare.7165306.v2 <https://doi.org/10.6084/m9.figshare.7165306.v2>`_

MDAnalysisData/descr/adk_transitions_FRODA.rst

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -25,8 +25,8 @@ Notes
2525
Data set characteristics:
2626

2727
:size: 539 MB
28+
:number of trajectories: 200
2829
:number of frames: varies
29-
:number of trajectories: 200
3030
:number of atoms: 1656
3131
:creator: Avishek Kumar
3232
:URL: `https://doi.org/10.6084/m9.figshare.7165306.v2 <https://doi.org/10.6084/m9.figshare.7165306.v2>`_

MDAnalysisData/descr/ifabp_water.rst

Lines changed: 1 addition & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -24,6 +24,7 @@ Notes
2424
Data set characteristics:
2525

2626
:size: 74 MB
27+
:number of trajectories: 1
2728
:number of frames: 500
2829
:number of particles: 12445
2930
:creator: Oliver Beckstein

MDAnalysisData/descr/vesicle_lib.rst

Lines changed: 4 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -13,7 +13,8 @@ with the scripts in the `vesicle_library
1313
files are in GRO format and contain a static system. For further
1414
details about the data set see [Kenney2015]_.
1515

16-
The files are placed into the Public Domain (made available under the CC0 license).
16+
The files are placed into the Public Domain (made available under the
17+
CC0 license).
1718

1819
========= ============
1920
system # particles
@@ -29,9 +30,9 @@ Notes
2930
Data set characteristics:
3031

3132
:size: 807 MB
33+
:number of structures: 3
3234
:number of frames: 1
33-
:number of structures: 3
34-
:number of atoms: varies
35+
:number of particles: varies
3536
:creator: Ian Kenney
3637
:URL: `10.6084/m9.figshare.3406708.v1 <https://doi.org/10.6084/m9.figshare.3406708.v1>`_
3738
:license: `CC0 <https://creativecommons.org/publicdomain/zero/1.0/legalcode>`_

MDAnalysisData/vesicles.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -33,7 +33,7 @@
3333
'structures': ["vesicles/1_75M/system.gro",
3434
"vesicles/3_5M/system.gro",
3535
"vesicles/10M/system.gro"],
36-
'labels': ["1.75M", "3.5M", "10M"],
36+
'labels': ["1_75M", "3_5M", "10M"],
3737
'N_structures': 3,
3838
},
3939
},

0 commit comments

Comments
 (0)