Class PSymbols


  • @PublicAPI
    public class PSymbols
    extends Object
    Class storing and sorting pharmacophore symbols.
    Since:
    JChem 2.0
    • Constructor Detail

      • PSymbols

        public PSymbols​(String[] psymbols)
        Constructor. Sorts and sets the symbols.
        Parameters:
        psymbols - is the symbol array
      • PSymbols

        public PSymbols​(Collection psymbols)
        Constructor. Sorts and sets the symbols.
        Parameters:
        psymbols - is the symbol collection
    • Method Detail

      • getSymbolCount

        public int getSymbolCount()
        returns the number of symbols
        Returns:
        the number of symbols
      • getSymbol

        public String getSymbol​(int i)
        Gets the symbol at the given index.
        Parameters:
        i - is the symbol index
        Returns:
        the symbol string
        Throws:
        IllegalArgumentException - if the symbol index is out-of-range
      • getIndex

        public int getIndex​(String symbol)
        Gets the index associated of the specified symbol.
        Parameters:
        symbol - pharmacophore property (feature) symbol
        Returns:
        the index of the feature
        Throws:
        IllegalArgumentException - if the symbol is not found