76
83%
master: 83%

Ran 29 Oct 2020 04:54PM UTC

Jobs 5

Files 17

Run time 73min

Badge

Embed ▾

pending completion

Build # 76

Build Type

push

travis-ci

Committed by

mpurg

Commit Message

Refactored the TopoBond/Angle/Torsion/Improper classes.

Split .calc() into two properties (r/theta/phi, energy).
The geometric property (r, theta, phi) is calculated only once,
since the coordinates of the topology object are fixed.

If in the future the coordinates should be allowed to change
(ie. for fitting purposes), that should happen via QTopology
methods, which should also take care of reseting all the
geometric properties related to the perturbed coordinates.

Also, there was a stupid bug in q_amber2q and q_ffld2q where
the equilibrium values for the impropers were not properly
printed out in prm.chk.

Run Details

3718 of 4485 relevant lines covered (82.9%)

4.13 hits per line

Jobs

ID	Job ID	Ran	Coverage
1	76.1	29 Oct 2020 04:54PM UTC	82.81	Travis Job 76.1
2	76.2	29 Oct 2020 04:54PM UTC	82.88	Travis Job 76.2
3	76.3	29 Oct 2020 04:54PM UTC	82.88	Travis Job 76.3
4	76.4	29 Oct 2020 04:54PM UTC	82.88	Travis Job 76.4
5	76.5	29 Oct 2020 06:07PM UTC	83.01	Travis Job 76.5

Source Files on build 76

Detailed source file information is not available for this build.

mpurg / qtools / 76
83%
master: 83%

README BADGES
x

Markdown

Textile

RDoc

HTML

Rst

Jobs

Source Files on build 76

mpurg / qtools / 76 83% master: 83%

README BADGES x

Markdown

Textile

RDoc

HTML

Rst

Jobs

Source Files on build 76

mpurg / qtools / 76
83%
master: 83%

README BADGES
x