 Zepei Xu
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45a947d800
typo fix
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7 vuotta sitten |
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Zepei Xu
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f2b655ea7c
Used TokenColumns. Read first line to determine which column is missing. Read each value at a time and add start and end indices to corresponding tokens. There is an error about async wait of handleAtoms and handlebonds Funcitons because they don't have async functions inside them and maybe they don't return Promises anymore. Used to use readLinesAsync which is a async function. But now use skipWhitespace and eatValue, which don't have async versions.
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7 vuotta sitten |
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Zepei Xu
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1bbb2bf057
Merge branch 'master' into mol2-2
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7 vuotta sitten |
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Zepei Xu
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18ed7862de
move files to right place
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7 vuotta sitten |
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David Sehnal
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1d07b6a0dd
renamed mol-comp to mol-task
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7 vuotta sitten |
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David Sehnal
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6d3565dc71
mol-comp prototype tweak
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7 vuotta sitten |
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David Sehnal
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562cb9acc1
comp proof tweak
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7 vuotta sitten |
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David Sehnal
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d6e11bb290
comp proof of concept
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7 vuotta sitten |
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David Sehnal
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552205063b
readme + examples folder
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7 vuotta sitten |
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David Sehnal
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b9404bbc8b
Started mol-comp
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7 vuotta sitten |
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Zepei Xu
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30f72c4d85
Merge branch 'master' into mol2-2
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7 vuotta sitten |
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David Sehnal
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0c7c82e043
Scheduler tweaks
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7 vuotta sitten |
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David Sehnal
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8416a827b0
Predicate fix
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7 vuotta sitten |
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David Sehnal
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d24dab3b24
tweaking data model
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7 vuotta sitten |
|
David Sehnal
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423f9c4753
Refactored Selection
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7 vuotta sitten |
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David Sehnal
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f9154ab425
more chunker updates
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7 vuotta sitten |
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David Sehnal
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9890d4807a
more accurate time management for Computation.Chunker
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7 vuotta sitten |
|
David Sehnal
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9f0a9db207
Better template atomset builder
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7 vuotta sitten |
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David Sehnal
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9a3b83d136
More atom set refactoring
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7 vuotta sitten |
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David Sehnal
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a7b35130ec
more atomset refactoring
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7 vuotta sitten |
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David Sehnal
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f576e797cd
reimplementing AtomSet
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7 vuotta sitten |
|
David Sehnal
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277c83fbe4
Structure units is now just an array
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7 vuotta sitten |
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David Sehnal
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db1b12d5be
removed id field from the unit interface
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7 vuotta sitten |
|
David Sehnal
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ca5dc25917
OrderedSet intersection tweak
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7 vuotta sitten |
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David Sehnal
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b4aab810ad
Working on structure data model
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7 vuotta sitten |
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David Sehnal
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0328282d52
Started "AtomUnits"
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7 vuotta sitten |
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David Sehnal
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1f07aee54f
Refactor Structure to use IntMap for units
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7 vuotta sitten |
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David Sehnal
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60d02b1f6a
Refactoring AtomSet (part 2)
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7 vuotta sitten |
|
David Sehnal
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ecbe3d2ef0
Refactoring AtomSet to use IntMap (step 1 of ?)
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7 vuotta sitten |
|
David Sehnal
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90077b5789
mol-data refactoring, add IntMap
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7 vuotta sitten |
