Closed BvB93 closed 3 years ago
Merging #74 (3cb14db) into master (77d217f) will increase coverage by
0.70%
. The diff coverage is94.11%
.
@@ Coverage Diff @@
## master #74 +/- ##
==========================================
+ Coverage 35.96% 36.66% +0.70%
==========================================
Files 32 32
Lines 2208 2234 +26
==========================================
+ Hits 794 819 +25
- Misses 1414 1415 +1
Impacted Files | Coverage Δ | |
---|---|---|
nanoCAT/recipes/dissociation.py | 85.15% <94.11%> (+2.80%) |
:arrow_up: |
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The new
r_max
parameter allows one the specify a maximum to-be explored radius in search forX-Y
pairs.Use of this option is recommended when
k
cannot be used reliably, i.e. in situation wherein not every single atomX
is surrounded by >=k
atomsY
.