Class NativeMDLReactionReader


  • public class NativeMDLReactionReader
    extends java.lang.Object
    • Constructor Detail

      • NativeMDLReactionReader

        public NativeMDLReactionReader​(java.lang.String directory)
                                throws java.io.IOException
        Throws:
        java.io.IOException
    • Method Detail

      • getReactionCount

        public int getReactionCount()
      • getPointerErrors

        public int getPointerErrors()
      • getVariationCount

        public int getVariationCount​(int regNo)
                              throws java.io.IOException
        Throws:
        java.io.IOException
      • getReaction

        public Reaction getReaction​(int reaction,
                                    int variation)
                             throws java.io.IOException
        Throws:
        java.io.IOException
      • getReactantData

        public java.lang.String getReactantData()
      • getProductData

        public java.lang.String getProductData()
      • getSolventData

        public java.lang.String getSolventData()
      • getCatalystData

        public java.lang.String getCatalystData()
      • getFieldNames

        public java.lang.String[] getFieldNames()
      • getFieldData

        public java.lang.String[] getFieldData​(int reaction,
                                               int variation)