ldgibson / mdstates
81%
master: 84%

LAST BUILD BRANCH: ReactionOperator
DEFAULT BRANCH: master
Repo Added
Files 18
Badge
Embed ▾
README BADGES
x

If you need to use a raster PNG badge, change the '.svg' to '.png' in the link

Markdown

Textile

RDoc

HTML

Rst

LAST BUILD ON BRANCH ReactionOperator
branch: SELECT
CHANGE BRANCH
x

168

push

travis-ci

ldgibson 
fixed flake8 error

1491 of 1844 relevant lines covered (80.86%)

0.81 hits per line

Relevant lines Covered
1844 RELEVANT LINES 1491 COVERED LINES
0.81 HITS PER LINE
Source Files on master
Detailed source file information is not available for this build.

Recent builds

Builds Branch Commit Type Ran Committer Via Coverage
168 ReactionOperator fixed flake8 error push ldgibson travis-ci pending completion  
167 ReactionOperator BEMatrix is now hashable. push ldgibson travis-ci pending completion  
166 ReactionOperator added a commented out section for asserting that atom_list length matches the size of the matrix. push ldgibson travis-ci pending completion  
165 ReactionOperator added charge to the molecule in the test save file. push ldgibson travis-ci pending completion  
164 ReactionOperator fixed unit tests to pull from the "structures" DataFrame push ldgibson travis-ci pending completion  
163 ReactionOperator fixed indexing in test_get_BEMatrices* push ldgibson travis-ci pending completion  
161 master added a check in get_structures() to see if there already exists a "structures" DataFrame. If there already exists one, it moves on to the next replica. push ldgibson travis-ci pending completion  
160 master changed load() method such that it can be executed multiple times to load in multiple files. push ldgibson travis-ci pending completion  
159 master Merge pull request #10 from ldgibson/ckpt Added ability to save the results of processed trajectories push web-flow travis-ci pending completion  
158 ckpt changed cmat_to_structure to return the rdkit molecule with explicit hydrogens and added an argument "with_hydrogens" to build_molecule to return the molecule with or without hydrogens Pull #10 web-flow travis-ci pending completion  
See All Builds (93)