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Inactive
Commits
: Listings
Analyzed
about 1 hour
ago. based on code collected
about 4 hours
ago.
Apr 24, 2023 — Apr 24, 2024
Showing page 8 of 9
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Date
Merge branch 'master' of
[email protected]
:rapodaca/mx
Richard Apodaca
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over 15 years ago
renamed smiles package
Richard Apodaca
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over 15 years ago
added smiles->cubane test
Richard Apodaca
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over 15 years ago
deleted unused code
Richard Apodaca
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over 15 years ago
deleted unused code
Richard Apodaca
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over 15 years ago
test, implemenat SMILES rings
Richard Apodaca
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over 15 years ago
first test and implementation of SMILESReader
Richard Apodaca
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over 15 years ago
added nested branching test
Richard Apodaca
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over 15 years ago
added nested branching test
Richard Apodaca
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over 15 years ago
added tertiary carbon branch test
Richard Apodaca
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over 15 years ago
added Mapper test
Rich Apodaca
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over 15 years ago
initial add of branching tests and implementation for SMILESBuilder
Richard Apodaca
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over 15 years ago
initial test and implementation of SMILESBuilder
Richard Apodaca
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over 15 years ago
new SMILESTokenizer tests
Richard Apodaca
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over 15 years ago
updated tests
Richard Apodaca
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over 15 years ago
initial tests and implementation for SMILESTokenizer
Richard Apodaca
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over 15 years ago
pathfindertest for both phenol paths starting with oxygen
Rich Apodaca
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over 15 years ago
test neopentane has four paths from central carbon
Rich Apodaca
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over 15 years ago
tested tempo oxygen has no vhydrogens.
Rich Apodaca
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over 15 years ago
updated readme
Rich Apodaca
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over 15 years ago
methylamide test
Rich Apodaca
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over 15 years ago
group 17 virtual hydrogens w/ radicals
Rich Apodaca
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over 15 years ago
group 17 virtual hydrogens w/ radicals
Rich Apodaca
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over 15 years ago
counting group 14 virtual hydrogen count for radicals w/ tests.
Rich Apodaca
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over 15 years ago
inital attempt to properly count virtual hydrogens on radical centers.
Rich Apodaca
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over 15 years ago
updated author tags and copyright notices
Rich Apodaca
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over 15 years ago
test that pathfinder finds two cyclohexane paths
Rich Apodaca
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over 15 years ago
package walk->path
Rich Apodaca
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over 15 years ago
Refactored class/method names in walk package.
Rich Apodaca
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over 15 years ago
PathFinderTest finds all three acetone paths starting from carbonyl carbon.
Rich Apodaca
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over 15 years ago
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