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Updated everything to CDK 2.8; performance test jar now also runs wit…
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…hout the CDK jar;
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JonasSchaub committed Sep 22, 2022
1 parent 253c15b commit af405f7
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Showing 9 changed files with 6 additions and 6 deletions.
2 changes: 1 addition & 1 deletion Basic/Basic usage instructions.txt
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Expand Up @@ -7,7 +7,7 @@ Basic usage instructions with your Java IDE of choice and Java 1.8 (or higher)
alternative you may directly add jar libraries "junit-4.12.jar" and
"hamcrest-core-1.3.jar" - located in super directory "JUnit 4" - for unit
testing).
2. Add "cdk-2.7.1.jar" library - located in super directory "CDK" - to the Java
2. Add "cdk-2.8.jar" library - located in super directory "CDK" - to the Java
project (if necessary)
3. Create package "org.openscience.cdk.tools" (if necessary) and import file
"ErtlFunctionalGroupsFinder.java". Create package
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2 changes: 1 addition & 1 deletion CDK/CDK info.txt
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@@ -1 +1 @@
"cdk-2.7.1.jar" is the Chemistry Development Kit (CDK) library "ErtlFunctionalGroupsFinder.java" was developed for.
"cdk-2.8.jar" is the Chemistry Development Kit (CDK) library "ErtlFunctionalGroupsFinder.java" was developed for.
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2 changes: 1 addition & 1 deletion Evaluation/Evaluation usage instructions.txt
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Expand Up @@ -8,7 +8,7 @@ Evaluation usage instructions with your Java IDE of choice and Java 1.8
alternative you may directly add jar libraries "junit-4.12.jar" and
"hamcrest-core-1.3.jar" - located in super directory "JUnit 4" - for unit
testing).
2. Add "cdk-2.7.1.jar" library - located in super directory "CDK" - to the Java
2. Add "cdk-2.8.jar" library - located in super directory "CDK" - to the Java
project (if necessary)
3. Create package "org.openscience.cdk.tools" (if necessary) and import file
"ErtlFunctionalGroupsFinder.java". Create package
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2 changes: 1 addition & 1 deletion Performance/Performance usage instructions.txt
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@@ -1,7 +1,7 @@
--------------------------------------------------------------------------------
Performance usage instructions with Java 1.8 (or higher)
--------------------------------------------------------------------------------
1. Install Java 1.8 on your machine (if necessary)
1. Install Java 1.8 (or higher) on your machine (if necessary)
2. Copy content of sub-folder "jar" to a destination directory on your
machine with read/write access.
3. Copy SD-file with your molecule library to the destination directory on your
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2 changes: 1 addition & 1 deletion README.md
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Expand Up @@ -5,7 +5,7 @@ The algorithm for automated functional groups detection and extraction of organi

Folder **Basic** contains the basic ErtlFunctionalGroupsFinder code and test code for integration in Java projects (see instructions in *Basic usage instructions.txt*).

Folder **CDK** contains CDK library jar file *cdk-2.7.1.jar* that ErtlFunctionalGroupsFinder works with.
Folder **CDK** contains CDK library jar file *cdk-2.8.jar* that ErtlFunctionalGroupsFinder works with.

Folder **Evaluation** contains sample code for evaluation of functional groups with ErtlFunctionalGroupsFinder (see instructions in *Evaluation usage instructions.txt*).

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2 changes: 1 addition & 1 deletion Utility/Utility usage instructions.txt
Original file line number Diff line number Diff line change
Expand Up @@ -7,7 +7,7 @@ Utility usage instructions with your Java IDE of choice and Java 1.8 (or higher)
alternative you may directly add jar libraries "junit-4.12.jar" and
"hamcrest-core-1.3.jar" - located in super directory "JUnit 4" - for unit
testing).
2. Add "cdk-2.7.1.jar" library - located in super directory "CDK" - to the Java
2. Add "cdk-2.8.jar" library - located in super directory "CDK" - to the Java
project (if necessary)
3. Create package "org.openscience.cdk.tools" (if necessary) and import files
"ErtlFunctionalGroupsFinder.java" and
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