 David Sehnal
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d24dab3b24
tweaking data model
|
il y a 7 ans |
|
David Sehnal
|
423f9c4753
Refactored Selection
|
il y a 7 ans |
|
David Sehnal
|
f9154ab425
more chunker updates
|
il y a 7 ans |
|
David Sehnal
|
9890d4807a
more accurate time management for Computation.Chunker
|
il y a 7 ans |
|
David Sehnal
|
9f0a9db207
Better template atomset builder
|
il y a 7 ans |
|
David Sehnal
|
9a3b83d136
More atom set refactoring
|
il y a 7 ans |
|
David Sehnal
|
a7b35130ec
more atomset refactoring
|
il y a 7 ans |
|
David Sehnal
|
f576e797cd
reimplementing AtomSet
|
il y a 7 ans |
|
David Sehnal
|
277c83fbe4
Structure units is now just an array
|
il y a 7 ans |
|
David Sehnal
|
db1b12d5be
removed id field from the unit interface
|
il y a 7 ans |
|
David Sehnal
|
ca5dc25917
OrderedSet intersection tweak
|
il y a 7 ans |
|
David Sehnal
|
b4aab810ad
Working on structure data model
|
il y a 7 ans |
|
David Sehnal
|
0328282d52
Started "AtomUnits"
|
il y a 7 ans |
|
David Sehnal
|
1f07aee54f
Refactor Structure to use IntMap for units
|
il y a 7 ans |
|
David Sehnal
|
60d02b1f6a
Refactoring AtomSet (part 2)
|
il y a 7 ans |
|
David Sehnal
|
ecbe3d2ef0
Refactoring AtomSet to use IntMap (step 1 of ?)
|
il y a 7 ans |
|
David Sehnal
|
90077b5789
mol-data refactoring, add IntMap
|
il y a 7 ans |
|
David Sehnal
|
54fcbd27e7
Use Structure.Builder for assemblies
|
il y a 7 ans |
|
David Sehnal
|
c8d0cfc493
Iterator.forEach tweak
|
il y a 7 ans |
|
David Sehnal
|
e70a0addea
encoder TODO
|
il y a 7 ans |
|
David Sehnal
|
d597f1e88c
Higher tolerance for "symmetry operators"
|
il y a 7 ans |
|
David Sehnal
|
75956de8cc
assembly generation working
|
il y a 7 ans |
|
David Sehnal
|
c6c2994267
assembly parsing from mmCIF
|
il y a 7 ans |
|
David Sehnal
|
88fecd3406
started symmetry
|
il y a 7 ans |
|
David Sehnal
|
d517c8736d
added data/util/group-by
|
il y a 7 ans |
|
David Sehnal
|
75829b4702
better tensor tests
|
il y a 7 ans |
|
David Sehnal
|
727a75ee6a
ability to specify default value in column schema
|
il y a 7 ans |
|
David Sehnal
|
d8437a78ef
SymmetryOperator in mol-math
|
il y a 7 ans |
|
David Sehnal
|
2d6c4538a2
renamed Column.Schema.valueKind to valueType
|
il y a 7 ans |
|
David Sehnal
|
6b57151de6
CIF tensor fields should now be working
|
il y a 7 ans |
