Class ValenceCheckOptions.Builder
java.lang.Object
chemaxon.core.calculations.valencecheck.ValenceCheckOptions.Builder
- Enclosing class:
- ValenceCheckOptions
Builder for ValenceCheckOptions.
- Since:
- Marvin 6.2. 2013/07/16
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Constructor Summary
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Method Summary
Modifier and TypeMethodDescriptionbuild()
Builds aValenceCheckOptions
object.setLocalAromaticChecking
(boolean localAromaticCheck) setLocalAromatiChecking
(boolean localAromaticCheck) Deprecated, for removal: This API element is subject to removal in a future version.setTraditionalNitrogenAllowed
(boolean traditionalNAllowed)
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Constructor Details
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Builder
public Builder()
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Method Details
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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, UsesetLocalAromaticChecking(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
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setLocalAromaticChecking
- 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
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setTraditionalNitrogenAllowed
- 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.
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build
Builds aValenceCheckOptions
object.- Returns:
- the built
ValenceCheckOptions
object
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setLocalAromaticChecking(boolean)
instead.