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ideaconsult
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cdk
The Chemistry Development Kit
https://cdk.github.io/
GNU Lesser General Public License v2.1
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Indentations and javadoc cleanup
#28
uli-f
closed
1 year ago
0
fixed a variety of javadoc errors; removed png file and its reference…
#27
uli-f
closed
1 year ago
0
removed temporary test exclusions from pom.xml now that the branch has
#26
uli-f
closed
1 year ago
1
moved the documentation from package.html to package-info.java as the…
#25
uli-f
closed
1 year ago
0
changed calls to instantiate RinchiOptionsBuilder in jna-rinchi
#24
uli-f
closed
1 year ago
0
added more documentation to package.html in rinchi package
#23
uli-f
closed
1 year ago
1
final steps
#22
uli-f
closed
1 year ago
9
implemented an fail-early strategy in RInChIGeneratorFactory
#21
uli-f
closed
1 year ago
0
added package level documentation for the rinchi package; removed som…
#20
uli-f
closed
1 year ago
0
fail early in RInChIGeneratorFactory when there is an issue with the native RInChI lib?
#19
uli-f
opened
1 year ago
3
added test cases to RInChIDecompositionTest, RInChIGeneratorTest and …
#18
uli-f
closed
1 year ago
0
RInChIGenerator::generateRinchiFromReaction issue with agents in CDK's MDLRXNWriter
#17
uli-f
closed
1 year ago
7
@Ignored some test cases
#16
uli-f
closed
1 year ago
13
added test cases to RInChIDecompositionTest, RInChIGeneratorTest and …
#15
uli-f
closed
1 year ago
4
Splitting the Factory (or alternatively just renaming it)
#14
uli-f
opened
1 year ago
2
javadoc for method RInChIGeneratorFactory#getRInChIGenerator(reaction,string)
#13
uli-f
closed
1 year ago
1
Changes to rinchigeneratorfactory
#12
uli-f
closed
1 year ago
5
fixed typo in method getIinchis; completed javadocs; added method to …
#11
uli-f
closed
1 year ago
1
fixed typos in method names; added test to make sure the same instanc…
#10
uli-f
closed
1 year ago
0
open TODO in RInChIToReaction
#9
uli-f
closed
1 year ago
3
RInChIToReaction::configureMolecules cannot be changed
#8
uli-f
closed
1 year ago
1
Changes rinchitoreaction
#7
uli-f
closed
1 year ago
2
open TODO in RinchiGenerator
#6
uli-f
closed
1 year ago
7
add logging messages in RinchiGenerator
#5
uli-f
closed
1 year ago
1
Misc changes rinchigenerator
#4
uli-f
closed
1 year ago
2
fixed typo
#3
uli-f
closed
1 year ago
0
some checks fail due to platform dependency; this is already fixed in…
#2
uli-f
closed
1 year ago
1
removed unused dependencies from cdk-rinchi/pom.xml
#1
uli-f
closed
1 year ago
0