Package chemaxon.core.calculations.valencecheck

Class ValenceCheckOptions.Builder

java.lang.Object
chemaxon.core.calculations.valencecheck.ValenceCheckOptions.Builder
Enclosing class:
ValenceCheckOptions
public static class ValenceCheckOptions.Builder extends Object
Builder for ValenceCheckOptions.
Since:
Marvin 6.2. 2013/07/16

  • Constructor Details

    • Builder

      public Builder()

  • Method Details

    • setLocalAromatiChecking

      @Deprecated(forRemoval=true) @SubjectToRemoval(date=JUL_01_2025) public ValenceCheckOptions.Builder setLocalAromatiChecking(boolean localAromaticCheck)
      Deprecated, for removal: This API element is subject to removal in a future version.
      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.

    • build

      public ValenceCheckOptions build()
      Builds a ValenceCheckOptions object.
      Returns:
      the built ValenceCheckOptions object