Package chemaxon.core.calculations.valencecheck

Class ValenceCheckOptions.Builder

  • Enclosing class:
    ValenceCheckOptions
    public static class ValenceCheckOptions.Builder
extends Object
    Builder for ValenceCheckOptions.
    Since:
    Marvin 6.2. 2013/07/16

    • Constructor Detail

      • Builder

        public Builder()

    • Method Detail

      • setLocalAromatiChecking

        @Deprecated
public ValenceCheckOptions.Builder setLocalAromatiChecking​(boolean localAromaticCheck)
        Deprecated.
        since Marvin 14.7.7, Use setLocalAromaticChecking(boolean) instead.
        Parameters:
        localAromaticCheck - Do not calculate valence for ambiguous aromatic atoms behaving like aromatic Nitrogens (e.g. N, O+ or C-) or Borons (e.g. B, C+). Ambiguous aromatic atoms are ignored in valence calculations if set to true and no global aromatic rules are checked

      • setLocalAromaticChecking

        public ValenceCheckOptions.Builder setLocalAromaticChecking​(boolean localAromaticCheck)
        Parameters:
        localAromaticCheck - Do not calculate valence for ambiguous aromatic atoms behaving like aromatic Nitrogens (e.g. N, O+ or C-) or Borons (e.g. B, C+). Ambiguous aromatic atoms are ignored in valence calculations if set to true and no global aromatic rules are checked

      • setTraditionalNitrogenAllowed

        public ValenceCheckOptions.Builder setTraditionalNitrogenAllowed​(boolean traditionalNallowed)
        Parameters:
        traditionalNallowed - traditionalNitrogenAllowed the traditional way of the ylidene and nitro groups if true the N in CN(=O)=O, CN(C)(C)=O, CN(=C)=O and c1ccccn1=O is accepted if false they are marked as valence error.