 giagitom
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53df86c585
Avoid using unnecessary extractMinimum from heap if k=1 on nearest search, add nearest method as unreleased.
|
il y a 2 ans |
|
giagitom
|
8814b60d0b
Increased performances of lookup3d nearest search.
|
il y a 2 ans |
|
giagitom
|
d7cbd5570c
Implement lookup & grid nearest search using fibonacci heap
|
il y a 2 ans |
|
giagitom
|
718f76313f
Adding nearest method to lookup3d at unit and structure level.
|
il y a 2 ans |
|
giagitom
|
9f72465052
remove unnecessary
|
il y a 2 ans |
|
giagitom
|
12b9655565
adding nearest and distance to point methods to lookup3d
|
il y a 2 ans |
|
Alexander Rose
|
3769da48a1
handle building GridLookup3D with zero cell size
|
il y a 3 ans |
|
Alexander Rose
|
3b1513adc0
fix eslint warnings
|
il y a 3 ans |
|
dsehnal
|
c36c6a6d97
support nested Lookup3D queries
|
il y a 4 ans |
|
David Sehnal
|
524d38c450
fix bounding box bug
|
il y a 4 ans |
|
Alexander Rose
|
8897261836
decoupled structure.boundary from lookup
|
il y a 4 ans |
|
David Sehnal
|
fb0634a0f4
added semicolons to linting rules
|
il y a 5 ans |
|
Alexander Rose
|
f65f4f4aeb
seperate grid and boundary calculation
|
il y a 5 ans |
|
Alexander Rose
|
03668216fa
use EPOS-based boundary-helper throughout
|
il y a 5 ans |
|
Alexander Rose
|
5f8a4b6be4
better types for IntAdjacencyGraph and GridLookup3D
|
il y a 5 ans |
|
Alexander Rose
|
8b766dc242
tweak, use Box3D.size
|
il y a 5 ans |
|
Alexander Rose
|
149e6ebf84
cleanup
|
il y a 5 ans |
|
Alexander Rose
|
2c55165c84
use relative paths for module imports
|
il y a 6 ans |
|
Alexander Rose
|
e87abc47b9
lookup3d, expose transient result property
|
il y a 6 ans |
|
Alexander Rose
|
0e2b6d9794
dssp tweak, caMinDist and grid cellCount
|
il y a 6 ans |
|
David Sehnal
|
f72d70b7c1
mol-model: use boundary helper
|
il y a 6 ans |
|
Alexander Rose
|
ac97c05c30
wip, gaussian surface picking / coloring
|
il y a 6 ans |
|
David Sehnal
|
d6e867e55a
Split water into multiple units based on grid, fix bug in GridLookup3D
|
il y a 6 ans |
|
Alexander Rose
|
d400016581
tweaks and fixes
|
il y a 6 ans |
|
David Sehnal
|
5d022ffed5
Fixes to group bond computation
|
il y a 7 ans |
|
David Sehnal
|
837f5eaef3
Compute bonds on unit level
|
il y a 7 ans |
|
David Sehnal
|
835185bb69
Tweaks
|
il y a 7 ans |
|
David Sehnal
|
c113aac2ef
Structure level lookup3d (part 1)
|
il y a 7 ans |
|
David Sehnal
|
a04ed8135d
refactoring grid lookup (step 3)
|
il y a 7 ans |
|
David Sehnal
|
81d5caf818
refactoring grid lookup (step 2)
|
il y a 7 ans |
