@PublicAPI public class ValenceCheckOptions extends java.lang.Object implements java.io.Serializable
Modifier and Type | Class and Description |
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static class |
ValenceCheckOptions.Builder
Builder for ValenceCheckOptions.
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Modifier and Type | Field and Description |
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static ValenceCheckOptions |
DEFAULT |
Constructor and Description |
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ValenceCheckOptions(boolean localAromatic,
boolean traditionalNallowed)
Deprecated.
since Marvin 6.2, Use
ValenceCheckOptions.Builder for
building ValenceCheckOptions. |
Modifier and Type | Method and Description |
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boolean |
equals(java.lang.Object other) |
int |
hashCode() |
boolean |
isLocalAromatic()
Do not calculate valence for ambiguous aromatic atoms behaving
like aromatic Nitrogens (e.g.
|
boolean |
isTraditionalNitrogensAllowed()
Returns if 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.
|
java.lang.String |
toString() |
public static final ValenceCheckOptions DEFAULT
@Deprecated public ValenceCheckOptions(boolean localAromatic, boolean traditionalNallowed)
ValenceCheckOptions.Builder
for
building ValenceCheckOptions.localAromatic
- 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
checkedtraditionalNallowed
- 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.public boolean isLocalAromatic()
public boolean isTraditionalNitrogensAllowed()
public boolean equals(java.lang.Object other)
equals
in class java.lang.Object
public int hashCode()
hashCode
in class java.lang.Object
public java.lang.String toString()
toString
in class java.lang.Object