Merge branch 'release/5.1.0'
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- README.md 5 additions, 9 deletionsREADME.md
- pom.xml 12 additions, 12 deletionspom.xml
- ssip-core/pom.xml 1 addition, 1 deletionssip-core/pom.xml
- ssip-footprint/pom.xml 1 addition, 1 deletionssip-footprint/pom.xml
- ssip-footprint/src/main/java/uk/ac/cam/ch/hunter/ssip/footprint/io/IsoOutReader.java 36 additions, 2 deletions...a/uk/ac/cam/ch/hunter/ssip/footprint/io/IsoOutReader.java
- ssip-footprint/src/test/java/uk/ac/cam/ch/hunter/ssip/footprint/io/IsoOutReaderTest.java 16 additions, 7 deletions.../ac/cam/ch/hunter/ssip/footprint/io/IsoOutReaderTest.java
- ssip-footprint/src/test/java/uk/ac/cam/ch/hunter/ssip/footprint/selectors/OriginalSSIPSelectorTest.java 10 additions, 23 deletions...er/ssip/footprint/selectors/OriginalSSIPSelectorTest.java
- ssip-footprint/src/test/resources/uk/ac/cam/ch/hunter/ssip/footprint/XLYOFNOQVPJJNP-UHFFFAOYSA-N.cml 11 additions, 11 deletions.../ch/hunter/ssip/footprint/XLYOFNOQVPJJNP-UHFFFAOYSA-N.cml
- ssip-footprint/src/test/resources/uk/ac/cam/ch/hunter/ssip/footprint/XLYOFNOQVPJJNP-UHFFFAOYSA-N_0.0020_merged.cube 2331 additions, 2197 deletions.../footprint/XLYOFNOQVPJJNP-UHFFFAOYSA-N_0.0020_merged.cube
- ssip-phasetransfer/pom.xml 1 addition, 1 deletionssip-phasetransfer/pom.xml
- ssip-phasetransfer/src/main/java/uk/ac/cam/ch/hunter/ssip/phasetransfer/AssociationConstantsFactory.java 2 additions, 0 deletions...unter/ssip/phasetransfer/AssociationConstantsFactory.java
- ssip-phasetransfer/src/main/java/uk/ac/cam/ch/hunter/ssip/phasetransfer/cli/PhaseTransferCli.java 5 additions, 3 deletions...am/ch/hunter/ssip/phasetransfer/cli/PhaseTransferCli.java
- ssip-phasetransfer/src/main/java/uk/ac/cam/ch/hunter/ssip/phasetransfer/concentrationcalculator/ConcentrationCalculator.java 61 additions, 4 deletions...sfer/concentrationcalculator/ConcentrationCalculator.java
- ssip-phasetransfer/src/main/java/uk/ac/cam/ch/hunter/ssip/phasetransfer/concentrationcalculator/ExpansionEnergyCalculator.java 8 additions, 7 deletions...er/concentrationcalculator/ExpansionEnergyCalculator.java
- ssip-phasetransfer/src/main/java/uk/ac/cam/ch/hunter/ssip/phasetransfer/concentrationcalculator/LiquidTotalConcentrationCalculator.java 30 additions, 3 deletions...trationcalculator/LiquidTotalConcentrationCalculator.java
- ssip-phasetransfer/src/main/java/uk/ac/cam/ch/hunter/ssip/phasetransfer/concentrationcalculator/PhaseSystemConcentrationCalculator.java 25 additions, 5 deletions...trationcalculator/PhaseSystemConcentrationCalculator.java
- ssip-phasetransfer/src/main/java/uk/ac/cam/ch/hunter/ssip/phasetransfer/concentrationcalculator/PhiBoundCalculator.java 30 additions, 0 deletions...etransfer/concentrationcalculator/PhiBoundCalculator.java
- ssip-phasetransfer/src/main/java/uk/ac/cam/ch/hunter/ssip/phasetransfer/concentrationcalculator/TotalConcentrationCalculator.java 29 additions, 23 deletions...concentrationcalculator/TotalConcentrationCalculator.java
- ssip-phasetransfer/src/main/java/uk/ac/cam/ch/hunter/ssip/phasetransfer/core/Phase.java 3 additions, 3 deletions...va/uk/ac/cam/ch/hunter/ssip/phasetransfer/core/Phase.java
- ssip-phasetransfer/src/main/java/uk/ac/cam/ch/hunter/ssip/phasetransfer/io/MixtureXMLReader.java 22 additions, 5 deletions...cam/ch/hunter/ssip/phasetransfer/io/MixtureXMLReader.java
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