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

Author:

Dkiss

Constructor Summary

Constructors

Constructor and Description
ValenceCheckOptions.Builder()

Method Summary

Methods

Modifier and Type	Method and Description
ValenceCheckOptions	build() Builds a ValenceCheckOptions object.
ValenceCheckOptions.Builder	setLocalAromaticChecking(boolean localAromaticCheck)
ValenceCheckOptions.Builder	setLocalAromatiChecking(boolean localAromaticCheck) Deprecated. since Marvin 14.7.7, Use setLocalAromaticChecking(boolean) instead.
ValenceCheckOptions.Builder	setTraditionalNitrogenAllowed(boolean traditionalNallowed)

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

ValenceCheckOptions.Builder

public ValenceCheckOptions.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.

build

public ValenceCheckOptions build()

Builds a ValenceCheckOptions object.

Returns:

the built ValenceCheckOptions object