Closed flongford closed 3 years ago
Merging #37 into master will increase coverage by
0.00%
. The diff coverage is100.00%
.
@@ Coverage Diff @@
## master #37 +/- ##
=======================================
Coverage 98.76% 98.76%
=======================================
Files 72 72
Lines 2262 2264 +2
Branches 158 158
=======================================
+ Hits 2234 2236 +2
Misses 16 16
Partials 12 12
Impacted Files | Coverage Δ | |
---|---|---|
force_gromacs/commands/gromacs_commands.py | 100.00% <ø> (ø) |
|
...romacs/data_sources/simulation/simulation_model.py | 96.87% <100.00%> (+0.10%) |
:arrow_up: |
...lation_builders/base_gromacs_simulation_builder.py | 100.00% <100.00%> (ø) |
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Allows the Groamcs
mdrun
command to include a-nsteps
flag that can override the number of simulation steps provided in.mdp
input files.Also implements a new cleaner view for the
SimulationDataSourceModel
class that includes the newn_steps
trait.