SearchConstants (JChem Base API documentation (c) 1998-2021 ChemAxon Ltd.)

All Known Implementing Classes:

HitDisplayTool, JChemSearch, JChemSearchOptions, MatchCountOptions, MolSearch, MolSearchOptions, RGroupDecomposition, Search, SearchOptions, StandardizedMolSearch
```
@PublicAPI
public interface SearchConstants
```
Constants for structure searching

Author:

Ferenc Csizmadia, Szabolcs Csepregi, Vencel Bors, Date: Feb. 8, 2011

Field Summary

Fields
Modifier and Type	Field and Description
`static int`	`ABS_STEREO_ALWAYS_ON` Option for absolute stereo matching.
`static int`	`ABS_STEREO_CHIRAL_FLAG` Option for absolute stereo matching.
`static int`	`ABS_STEREO_TABLE_OPTION` Option for absolute stereo matching.
`static int`	`ATTACHED_DATA_MATCH_EXACT` Option value constant for exact match of attached data.
`static int`	`ATTACHED_DATA_MATCH_GENERAL` Option value constant for general match of attached data.
`static int`	`ATTACHED_DATA_MATCH_IGNORE` Option value constant for ignoring attached data.
`static int`	`ATTACHMENT_ATOM` Constant for attachment point representation in ligands: sets attachment points by attaching an any-atom.
`static int`	`ATTACHMENT_LABEL` Constant for attachment point representation in ligands: sets attachment points by `MolAtom.setExtraLabel(java.lang.String)` Labels with R-group ID: "1" for `R1`, "2" for `R2`, ...
`static int`	`ATTACHMENT_MAP` Constant for attachment point representation in ligands: sets attachment points by `MolAtom.setAtomMap(int)`.
`static int`	`ATTACHMENT_NONE` Constant for attachment point representation in ligands: none (no attachment point data).
`static int`	`ATTACHMENT_POINT` Constant for attachment point representation in ligands: R-group attachment.
`static int`	`ATTACHMENT_RLABEL` Constant for attachment point representation in ligands: sets attachment points by `MolAtom.setExtraLabel(java.lang.String)`.
`static int`	`CHARGE_MATCHING_DEFAULT` Option value constant for default charge searching (charged query matches only charged target, noncharged query matches all).
`static int`	`CHARGE_MATCHING_EXACT` Option value constant for exact charge searching (charged query matches only charged target, noncharged query only matches noncharged).
`static int`	`CHARGE_MATCHING_IGNORE` Option value constant for ignore charge searching (charge information is ignored during searching).
`static float`	`DEFAULT_DISSIMILARITY_THRESHOLD` Default threshold value for similarity search.
`static int`	`DEFAULT_SEARCHTYPE` Default search type equals SUBSTRUCTURE.
`static java.lang.String`	`DISSIMILARITY_PROPERTY_NAME` Name of the mrv/sdf property which stores the dissimilarity values.
`static int`	`DUPLICATE` Duplicate search (formerly called perfect).
`static int`	`FULL` Full structure search.
`static int`	`FULL_FRAGMENT` Full fragment search (formerly called exact fragment).
`static int`	`HCOUNT_MATCHING_AUTO` Default option for H count matching (setHCountMatching).
`static int`	`HCOUNT_MATCHING_EQUAL` Option for H count matching.
`static int`	`HCOUNT_MATCHING_GREATER_OR_EQUAL` Option for H count matching.
`static int`	`HIT_EXCLUDEDQ` Hit constant denoting excluded query atom.
`static int`	`HIT_LP` Hit constant denoting isolated lone-pair match.
`static int`	`HIT_MULTICENTER` Hit constant denoting multicenter atoms in query.
`static int`	`HIT_NON_R` Dummy hit constant used temporarily in BackTrack for denoting a non-R-node match.
`static int`	`HIT_ORDERING_NONE` Option value constant.
`static int`	`HIT_ORDERING_UNDEF_R_MATCHING_GROUP_FIRST` Option value constant.
`static int`	`HIT_R` Hit constant denoting R-node matches in case of R-group search.
`static int`	`HIT_R_EMPTY_MATCH` Hit constant denoting R-node empty match.
`static int`	`HIT_UNMAPABLE` Hit constant denoting unmapable atoms in query (e.g.
`static int`	`IMPLICIT_H_MATCHING_DEFAULT` Option value constant for default mode.
`static int`	`IMPLICIT_H_MATCHING_DISABLED` Option value constant for indicate matching of an explicit hydrogen only to another explicit hydrogen.
`static int`	`IMPLICIT_H_MATCHING_ENABLED` Option value constant for indicate matching between implicit and explicit hydrogens.
`static int`	`IMPLICIT_H_MATCHING_IGNORE` Option value constant to indicate that hydrogens, either explicit or implicit, are ignored during searching.
`static int`	`ISOTOPE_MATCHING_DEFAULT` Option value constant for default isotope searching (isotope query matches only isotope target, nonisotope query matches all).
`static int`	`ISOTOPE_MATCHING_EXACT` Option value constant for exact isotope searching (isotope query matches only isotope target, nonisotope query only matches nonisotope).
`static int`	`ISOTOPE_MATCHING_IGNORE` Option value constant for ignore isotope searching (isotope information is ignored during searching).
`static int`	`MARKUSH_HIT_INNER` Option value constant for returning hit indices of the inner, compiled representation of a Markush target.
`static int`	`MARKUSH_HIT_ORIGINAL` Option value constant for returning hit indices of the original Markush target.
`static int`	`MATCH_COUNT_BETWEEN`
`static int`	`MATCH_COUNT_RELATION`
`static int`	`NO_ABAS` Substructure search that applies only screening.
`static int`	`NO_SCREEN` Substructure search that applies only atom-by-atom search.
`static int`	`POSITION_ON_0TH_HEAVY_ATOM` Hit constant denoting hit position of a non-heavy atom (e.g.
`static int`	`RADICAL_MATCHING_DEFAULT` Option value constant for default radical searching (radical query matches only radical target, nonradical query matches all).
`static int`	`RADICAL_MATCHING_EXACT` Option value constant for exact radical searching (radical query matches only radical target, nonradical query only matches nonradical).
`static int`	`RADICAL_MATCHING_IGNORE` Option value constant for ignore radical searching (radical information is ignored during searching).
`static java.lang.String[]`	`SEARCH_MODE_NAMES` Deprecated. As of JChem 5.12, replaced by `SEARCH_TYPE_NAMES`.
`static java.lang.String[]`	`SEARCH_TYPE_NAMES` The names of the search types.
`static int`	`SIMILARITY` Similarity search.
`static int`	`STEREO_DIASTEREOMER` The diastereomers targets of a given query structure are also matched.
`static int`	`STEREO_ENANTIOMER` The enantiomer targets of a given query structure are also matched.
`static int`	`STEREO_EXACT` Equality is needed in stereochemistry.
`static int`	`STEREO_IGNORE` Stereo information is not considered during searching.
`static int`	`STEREO_MODEL_COMPREHENSIVE` Option value constant to use comprehensive stereo model, which combines the advantages of local and global stereo models.
`static int`	`STEREO_MODEL_DEFAULT` For markush search in all cases and for non-markush duplicate search in query tables `STEREO_MODEL_LOCAL`, for non-markush duplicate search (with the exception of query tables) `STEREO_MODEL_GLOBAL`.
`static int`	`STEREO_MODEL_GLOBAL` Option value constant to use global stereo information (global parity, global double bond stereo configuration, etc).
`static int`	`STEREO_MODEL_LOCAL` Option value constant to use local stereo information only (local parity, local double bond stereo configuration, etc).
`static int`	`STEREO_SPECIFIC` Stereo information is considered during searching.
`static int`	`SUBSTRUCTURE` Substructure search that applies both screening and atom-by-atom search.
`static int`	`SUPERSTRUCTURE` Superstructure search (Value=6)
`static int`	`TAUTOMER_SEARCH_DEFAULT` Option value constant for indicating that tautomer duplicate search option is not explicitly set.
`static int`	`TAUTOMER_SEARCH_OFF` Option value constant for switching tautomer searching off.
`static int`	`TAUTOMER_SEARCH_ON` Option value constant for switching tautomer searching on.
`static int`	`TAUTOMER_SEARCH_ON_IGNORE_TAUTOMERSTEREO` Option value constant for switching tautomer searching on without considering stereochemistry in tautomer regions.
`static int`	`UNDEF_R_MATCHING_ALL` Option value constant.
`static int`	`UNDEF_R_MATCHING_GROUP` Option value constant.
`static int`	`UNDEF_R_MATCHING_GROUP_H` Option value constant.
`static int`	`UNDEF_R_MATCHING_GROUP_H_EMPTY` Option value constant.
`static int`	`UNDEF_R_MATCHING_UNDEF_R` Option value constant.
`static int`	`VAGUE_BOND_DEFAULT` Option value constant for vague bond level HALF.
`static int`	`VAGUE_BOND_LEVEL_HALF` Option value constant to handle some ambiguous aromaticity, 5-membered Kekule representation queries, like *1C=CC=C1 [C,N,O]1C=CC=C1 C1C=CC=C1 S1C=CC=C1.
`static int`	`VAGUE_BOND_LEVEL1` Until 5.3 it was an option value constant to handle some ambiguous aromaticity, 5-membered Kekule representation queries.
`static int`	`VAGUE_BOND_LEVEL2` Option value constant to vague handling of aromaticity; In the query all single ring bonds are replaced by "single or aromatic" and all double ring bonds are replaced by "double or aromatic" prior to search.
`static int`	`VAGUE_BOND_LEVEL3` Option value constant to vague handling of aromaticity; In the query all single bonds are replaced by "single or aromatic" and all double bonds are replaced by "double or aromatic" prior to search.
`static int`	`VAGUE_BOND_LEVEL4` Option value constant to vaguely handle bond types; All bond types are ignored (all bonds are replaced by "any" bonds prior to search.
`static int`	`VAGUE_BOND_OFF` Option value constant to disable vague bond matching.

- Field Detail
  - DEFAULT_SEARCHTYPE
```
static final int DEFAULT_SEARCHTYPE
```
    Default search type equals SUBSTRUCTURE.
    
    See Also:
    
    SUBSTRUCTURE, Constant Field Values
  - NO_SCREEN
```
static final int NO_SCREEN
```
    Substructure search that applies only atom-by-atom search. (Value=0)
    
    See Also:
    
    Constant Field Values
  - NO_ABAS
```
static final int NO_ABAS
```
    Substructure search that applies only screening. (Value=1)
    
    See Also:
    
    Constant Field Values
  - SUBSTRUCTURE
```
static final int SUBSTRUCTURE
```
    Substructure search that applies both screening and atom-by-atom search. (Value=2)
    
    See Also:
    
    JChem chemical database concepts, Constant Field Values
  - SIMILARITY
```
static final int SIMILARITY
```
    Similarity search. (Value=3)
    
    See Also:
    
    JChem chemical database concepts, Constant Field Values
  - FULL
```
static final int FULL
```
    Full structure search. (Prior to version 5.2 called EXACT.) Query and target must have the same heavy atom (non-H) network for matching. All other properties are otherwise evaluated the same way as substructure search. Please note that this search type is not suitable for equality check. For that, please use DUPLICATE search type. (Value=4)
    
    Since:
    
    JChem 5.2
    
    See Also:
    
    DUPLICATE, SUBSTRUCTURE, JChem chemical database concepts, Constant Field Values
  - DUPLICATE
```
static final int DUPLICATE
```
    Duplicate search (formerly called perfect). Used for deciding absolute equality of molecular features (eg duplicate check before database insert). Equality is always subject to standardization in the database. Query features are not evaluated. (Value=5) For this search mode there is no search per minute license limitation in JChemBase, these searches are not counted.
    
    Since:
    
    JChem 5.2
    
    See Also:
    
    JChem chemical database concepts, Constant Field Values
  - SUPERSTRUCTURE
```
static final int SUPERSTRUCTURE
```
    Superstructure search (Value=6)
    
    Since:
    
    JChem 3.0
    
    See Also:
    
    JChem chemical database concepts, Constant Field Values
  - FULL_FRAGMENT
```
static final int FULL_FRAGMENT
```
    Full fragment search (formerly called exact fragment). Query must be FULL matching to a target fragment. (Value=7)
    
    Since:
    
    JChem 5.2
    
    See Also:
    
    FULL, JChem chemical database concepts, Constant Field Values
  - STEREO_SPECIFIC
```
static final int STEREO_SPECIFIC
```
    Stereo information is considered during searching.
    
    See Also:
    
    Constant Field Values
  - STEREO_IGNORE
```
static final int STEREO_IGNORE
```
    Stereo information is not considered during searching.
    
    See Also:
    
    Constant Field Values
  - STEREO_EXACT
```
static final int STEREO_EXACT
```
    Equality is needed in stereochemistry. ("All stereo info is exactly the same.") It mainly has an effect when the query has no stereo information: it only matches non-stereo target. Similarly, a query with a wiggly tetrahedral center will only match wiggly tetrahedral center, and not specific R and S configurations. If STEREO_SPECIFIC is set, non-stereo query matches both nonstereo and stereo target.
    
    See Also:
    
    Constant Field Values
  - STEREO_DIASTEREOMER
```
static final int STEREO_DIASTEREOMER
```
    The diastereomers targets of a given query structure are also matched. This means that it is only required that if a query atom has stereo information, the target atom should have as well but the two configurations are treated the same.
    
    See Also:
    
    Constant Field Values
  - STEREO_ENANTIOMER
```
static final int STEREO_ENANTIOMER
```
    The enantiomer targets of a given query structure are also matched.
    
    See Also:
    
    Constant Field Values
  - SEARCH_TYPE_NAMES
```
static final java.lang.String[] SEARCH_TYPE_NAMES
```
    The names of the search types.
    
    Since:
    
    JChem 5.12
  - SEARCH_MODE_NAMES
```
@Deprecated
static final java.lang.String[] SEARCH_MODE_NAMES
```
    Deprecated. As of JChem 5.12, replaced by SEARCH_TYPE_NAMES.
    
    The names of the search types.
    
    Since:
    
    JChem 3.0
  - DEFAULT_DISSIMILARITY_THRESHOLD
```
static final float DEFAULT_DISSIMILARITY_THRESHOLD
```
    Default threshold value for similarity search. (Value=0.3)
    
    See Also:
    
    Constant Field Values
  - DISSIMILARITY_PROPERTY_NAME
```
static final java.lang.String DISSIMILARITY_PROPERTY_NAME
```
    Name of the mrv/sdf property which stores the dissimilarity values.
    
    See Also:
    
    Constant Field Values
  - HCOUNT_MATCHING_AUTO
```
static final int HCOUNT_MATCHING_AUTO
```
    Default option for H count matching (setHCountMatching). The search tries to find out from the source of the query structure which H count matching option to use. (HCOUNT_MATCHING_EQUAL for smiles and smarts, and HCOUNT_MATCHING_GREATER_OR_EQUAL for mdl molfiles.)
    
    See Also:
    
    HCOUNT_MATCHING_EQUAL, HCOUNT_MATCHING_GREATER_OR_EQUAL, Constant Field Values
  - HCOUNT_MATCHING_EQUAL
```
static final int HCOUNT_MATCHING_EQUAL
```
    Option for H count matching. Means that a query atom with H count should only match a target atom with hydrogens (implicit or explicit) equal to the H count. This is the Daylight(smiles, smarts) behaviour.
    
    See Also:
    
    Constant Field Values
  - HCOUNT_MATCHING_GREATER_OR_EQUAL
```
static final int HCOUNT_MATCHING_GREATER_OR_EQUAL
```
    Option for H count matching. Means that a query atom with H count should only match a target atom with hydrogens (implicit or explicit) equal to or greater than the H count. One exception is H count = 0, which means no Hydrogens extra to those explicitly drawn. This is the MDL(sd, molfile) behaviour.
    
    See Also:
    
    Constant Field Values
  - ABS_STEREO_TABLE_OPTION
```
static final int ABS_STEREO_TABLE_OPTION
```
    Option for absolute stereo matching. Gets setting from property table.
    
    See Also:
    
    Constant Field Values
  - ABS_STEREO_CHIRAL_FLAG
```
static final int ABS_STEREO_CHIRAL_FLAG
```
    Option for absolute stereo matching. Chiral flag in molecule determines absolute configuration.
    
    See Also:
    
    Constant Field Values
  - ABS_STEREO_ALWAYS_ON
```
static final int ABS_STEREO_ALWAYS_ON
```
    Option for absolute stereo matching. Always treats chiral centers as abslute configuration.
    
    See Also:
    
    Constant Field Values
  - MARKUSH_HIT_ORIGINAL
```
static final int MARKUSH_HIT_ORIGINAL
```
    Option value constant for returning hit indices of the original Markush target. (Default.) For RgMolecule targets, the indices correspond to the graph union.
    
    Since:
    
    JChem 3.2
    
    See Also:
    
    MARKUSH_HIT_INNER, Constant Field Values
  - MARKUSH_HIT_INNER
```
static final int MARKUSH_HIT_INNER
```
    Option value constant for returning hit indices of the inner, compiled representation of a Markush target.
    
    Since:
    
    JChem 3.2
    
    See Also:
    
    MARKUSH_HIT_ORIGINAL, Constant Field Values
  - TAUTOMER_SEARCH_OFF
```
static final int TAUTOMER_SEARCH_OFF
```
    Option value constant for switching tautomer searching off.
    
    Since:
    
    JChem 5.4
    
    See Also:
    
    TAUTOMER_SEARCH_ON, TAUTOMER_SEARCH_DEFAULT, Constant Field Values
  - TAUTOMER_SEARCH_ON
```
static final int TAUTOMER_SEARCH_ON
```
    Option value constant for switching tautomer searching on.
    
    Since:
    
    JChem 5.4
    
    See Also:
    
    TAUTOMER_SEARCH_OFF, TAUTOMER_SEARCH_DEFAULT, TAUTOMER_SEARCH_ON_IGNORE_TAUTOMERSTEREO, Constant Field Values
  - TAUTOMER_SEARCH_DEFAULT
```
static final int TAUTOMER_SEARCH_DEFAULT
```
    Option value constant for indicating that tautomer duplicate search option is not explicitly set. Default bahavior is TAUTOMER_SEARCH_OFF except in case of duplicate search in a database table created with "Duplicate search uses tautomers" option.
    
    Since:
    
    JChem 5.4
    
    See Also:
    
    TAUTOMER_SEARCH_OFF, TAUTOMER_SEARCH_ON, TAUTOMER_SEARCH_ON_IGNORE_TAUTOMERSTEREO, Constant Field Values
  - TAUTOMER_SEARCH_ON_IGNORE_TAUTOMERSTEREO
```
static final int TAUTOMER_SEARCH_ON_IGNORE_TAUTOMERSTEREO
```
    Option value constant for switching tautomer searching on without considering stereochemistry in tautomer regions.
    
    Since:
    
    JChem 5.4
    
    See Also:
    
    TAUTOMER_SEARCH_OFF, TAUTOMER_SEARCH_DEFAULT, TAUTOMER_SEARCH_ON, Constant Field Values
  - ISOTOPE_MATCHING_DEFAULT
```
static final int ISOTOPE_MATCHING_DEFAULT
```
    Option value constant for default isotope searching (isotope query matches only isotope target, nonisotope query matches all).
    
    Since:
    
    JChem 3.2
    
    See Also:
    
    Constant Field Values
  - ISOTOPE_MATCHING_EXACT
```
static final int ISOTOPE_MATCHING_EXACT
```
    Option value constant for exact isotope searching (isotope query matches only isotope target, nonisotope query only matches nonisotope).
    
    Since:
    
    JChem 3.2
    
    See Also:
    
    Constant Field Values
  - ISOTOPE_MATCHING_IGNORE
```
static final int ISOTOPE_MATCHING_IGNORE
```
    Option value constant for ignore isotope searching (isotope information is ignored during searching).
    
    Since:
    
    JChem 3.2
    
    See Also:
    
    Constant Field Values
  - CHARGE_MATCHING_DEFAULT
```
static final int CHARGE_MATCHING_DEFAULT
```
    Option value constant for default charge searching (charged query matches only charged target, noncharged query matches all).
    
    Since:
    
    JChem 3.2
    
    See Also:
    
    Constant Field Values
  - CHARGE_MATCHING_EXACT
```
static final int CHARGE_MATCHING_EXACT
```
    Option value constant for exact charge searching (charged query matches only charged target, noncharged query only matches noncharged).
    
    Since:
    
    JChem 3.2
    
    See Also:
    
    Constant Field Values
  - CHARGE_MATCHING_IGNORE
```
static final int CHARGE_MATCHING_IGNORE
```
    Option value constant for ignore charge searching (charge information is ignored during searching). As of JChem 5.3, this option forces IMPLICIT_H_MATCHING_IGNORE in case of duplicate search.
    
    Since:
    
    JChem 3.2
    
    See Also:
    
    IMPLICIT_H_MATCHING_IGNORE, Constant Field Values
  - RADICAL_MATCHING_DEFAULT
```
static final int RADICAL_MATCHING_DEFAULT
```
    Option value constant for default radical searching (radical query matches only radical target, nonradical query matches all).
    
    Since:
    
    JChem 3.2
    
    See Also:
    
    Constant Field Values
  - RADICAL_MATCHING_EXACT
```
static final int RADICAL_MATCHING_EXACT
```
    Option value constant for exact radical searching (radical query matches only radical target, nonradical query only matches nonradical).
    
    Since:
    
    JChem 3.2
    
    See Also:
    
    Constant Field Values
  - RADICAL_MATCHING_IGNORE
```
static final int RADICAL_MATCHING_IGNORE
```
    Option value constant for ignore radical searching (radical information is ignored during searching).
    
    Since:
    
    JChem 3.2
    
    See Also:
    
    Constant Field Values
  - VAGUE_BOND_OFF
```
static final int VAGUE_BOND_OFF
```
    Option value constant to disable vague bond matching.
    
    Since:
    
    JChem 3.2
    
    See Also:
    
    Constant Field Values
  - VAGUE_BOND_LEVEL1
```
static final int VAGUE_BOND_LEVEL1
```
    Until 5.3 it was an option value constant to handle some ambiguous aromaticity, 5-membered Kekule representation queries. From 5.3 extends to 1-atom ligands of aromatic rings and 1 long connections between aromatic rings also (default from 5.3 to 15.9.14).
    
    Since:
    
    JChem 3.2
    
    See Also:
    
    VAGUE_BOND_LEVEL_HALF, Constant Field Values
  - VAGUE_BOND_LEVEL_HALF
```
static final int VAGUE_BOND_LEVEL_HALF
```
    Option value constant to handle some ambiguous aromaticity, 5-membered Kekule representation queries, like *1C=CC=C1 [C,N,O]1C=CC=C1 C1C=CC=C1 S1C=CC=C1. This is the default value before 5.3 and after 15.9.14.
    
    Since:
    
    JChem 5.3
    
    See Also:
    
    VAGUE_BOND_LEVEL1, Constant Field Values
  - VAGUE_BOND_DEFAULT
```
static final int VAGUE_BOND_DEFAULT
```
    Option value constant for vague bond level HALF.
    
    Since:
    
    JChem 3.2
    
    See Also:
    
    Constant Field Values
  - VAGUE_BOND_LEVEL2
```
static final int VAGUE_BOND_LEVEL2
```
    Option value constant to vague handling of aromaticity; In the query all single ring bonds are replaced by "single or aromatic" and all double ring bonds are replaced by "double or aromatic" prior to search. (Caution: Not very efficient during fingerprint screening!)
    
    Since:
    
    JChem 3.2
    
    See Also:
    
    Constant Field Values
  - VAGUE_BOND_LEVEL3
```
static final int VAGUE_BOND_LEVEL3
```
    Option value constant to vague handling of aromaticity; In the query all single bonds are replaced by "single or aromatic" and all double bonds are replaced by "double or aromatic" prior to search. (Caution: very inefficient during fingerprint screening!)
    
    Since:
    
    JChem 3.2
    
    See Also:
    
    Constant Field Values
  - VAGUE_BOND_LEVEL4
```
static final int VAGUE_BOND_LEVEL4
```
    Option value constant to vaguely handle bond types; All bond types are ignored (all bonds are replaced by "any" bonds prior to search. (Caution: very inefficient during fingerprint screening!)
    
    Since:
    
    JChem 3.2
    
    See Also:
    
    Constant Field Values
  - STEREO_MODEL_DEFAULT
```
static final int STEREO_MODEL_DEFAULT
```
    For markush search in all cases and for non-markush duplicate search in query tables STEREO_MODEL_LOCAL, for non-markush duplicate search (with the exception of query tables) STEREO_MODEL_GLOBAL. Otherwise it is STEREO_MODEL_COMPREHENSIVE.
    
    Since:
    
    JChem 3.2.3
    
    See Also:
    
    STEREO_MODEL_LOCAL, Constant Field Values
  - STEREO_MODEL_LOCAL
```
static final int STEREO_MODEL_LOCAL
```
    Option value constant to use local stereo information only (local parity, local double bond stereo configuration, etc). This is useful for substructure search. When a symmetric atom/bond in the query is specified, this method only matches target atoms/bonds with specified stereochemistry. (For example, query C[[email protected]](C)(C)C does not match CC(C)(C)C.)
    
    Since:
    
    JChem 3.2.3
    
    See Also:
    
    Constant Field Values
  - STEREO_MODEL_COMPREHENSIVE
```
static final int STEREO_MODEL_COMPREHENSIVE
```
    Option value constant to use comprehensive stereo model, which combines the advantages of local and global stereo models. This setting is suitable for all search types. In principle, it is similar to the local stereo model, except when the target is symmetrical. In the symmetrical target case the matching is accepted, regardless of stereo information. For example, substructure query C[[email protected]](C)(C)C matches both CC(C)(C)C , C[[email protected]@](C)(C)C and CCC[[email protected]@](C)(CC)C(C)C.
    
    Since:
    
    JChem 3.2.3
    
    See Also:
    
    Constant Field Values
  - STEREO_MODEL_GLOBAL
```
static final int STEREO_MODEL_GLOBAL
```
    Option value constant to use global stereo information (global parity, global double bond stereo configuration, etc). This value is suitable for duplicate, full and full fragment searches, as in these cases the full stereospecific environment is always available for both the query and target structures. (Therefore a symmetrical atom/bond with stereo configuration may match to an unspecified strereo atom/bond. For example, C[[email protected]](C)(C)C matches CC(C)(C)C.)
    
    Since:
    
    JChem 3.2.3
    
    See Also:
    
    Constant Field Values
  - IMPLICIT_H_MATCHING_DEFAULT
```
static final int IMPLICIT_H_MATCHING_DEFAULT
```
    Option value constant for default mode. Its value is IMPLICIT_H_MATCHING_ENABLED in almost every cases. There is only one exception: in case of duplicate search against a query table in a database the default value is IMPLICIT_H_MATCHING_DISABLED.
    
    Since:
    
    JChem 5.0
    
    See Also:
    
    IMPLICIT_H_MATCHING_ENABLED, IMPLICIT_H_MATCHING_DISABLED, IMPLICIT_H_MATCHING_IGNORE, Constant Field Values
  - IMPLICIT_H_MATCHING_ENABLED
```
static final int IMPLICIT_H_MATCHING_ENABLED
```
    Option value constant for indicate matching between implicit and explicit hydrogens. In case of duplicate search the sum of implicit and explicit hydrogens of the query atom and the sum on the matched target atom must equal.
    
    Since:
    
    JChem 5.0
    
    See Also:
    
    IMPLICIT_H_MATCHING_DEFAULT, IMPLICIT_H_MATCHING_DISABLED, IMPLICIT_H_MATCHING_IGNORE, Constant Field Values
  - IMPLICIT_H_MATCHING_DISABLED
```
static final int IMPLICIT_H_MATCHING_DISABLED
```
    Option value constant for indicate matching of an explicit hydrogen only to another explicit hydrogen. The number of implicit hydrogens (of the matching atoms) are not checked.
    
    Since:
    
    JChem 5.0
    
    See Also:
    
    IMPLICIT_H_MATCHING_DEFAULT, IMPLICIT_H_MATCHING_ENABLED, IMPLICIT_H_MATCHING_IGNORE, Constant Field Values
  - IMPLICIT_H_MATCHING_IGNORE
```
static final int IMPLICIT_H_MATCHING_IGNORE
```
    Option value constant to indicate that hydrogens, either explicit or implicit, are ignored during searching. Hydrogens having special properties (radical, charge, isotope or more/less than one bond) are still considered.
    Option CHARGE_MATCHING_IGNORE forces IMPLICIT_H_MATCHING_IGNORE in case of duplicate search. In case of duplicate search against a query table in a database IMPLICIT_H_MATCHING_IGNORE is switched to IMPLICIT_H_MATCHING_DISABLED. Hydrogens receive the excluded atom hit index HIT_EXCLUDEDQ in this case.
    
    Since:
    
    JChem 5.3
    
    See Also:
    
    CHARGE_MATCHING_IGNORE, IMPLICIT_H_MATCHING_DEFAULT, IMPLICIT_H_MATCHING_ENABLED, IMPLICIT_H_MATCHING_DISABLED, Constant Field Values
  - UNDEF_R_MATCHING_ALL
```
static final int UNDEF_R_MATCHING_ALL
```
    Option value constant. Undefined R-atom in query matches any atom in target.
    
    Since:
    
    JChem 5.1
    
    See Also:
    
    UNDEF_R_MATCHING_UNDEF_R, UNDEF_R_MATCHING_GROUP, UNDEF_R_MATCHING_GROUP_H, UNDEF_R_MATCHING_GROUP_H_EMPTY, Constant Field Values
  - UNDEF_R_MATCHING_UNDEF_R
```
static final int UNDEF_R_MATCHING_UNDEF_R
```
    Option value constant. Undefined R-atom in query matches only an undefined R-atom in target.
    
    Since:
    
    JChem 5.1
    
    See Also:
    
    UNDEF_R_MATCHING_ALL, UNDEF_R_MATCHING_GROUP, UNDEF_R_MATCHING_GROUP_H, UNDEF_R_MATCHING_GROUP_H_EMPTY, Constant Field Values
  - UNDEF_R_MATCHING_GROUP
```
static final int UNDEF_R_MATCHING_GROUP
```
    Option value constant. Undefined R-atom in query matches a group of one or more connected atoms, including at least one heavy atom.
    
    Since:
    
    JChem 5.2
    
    See Also:
    
    UNDEF_R_MATCHING_ALL, UNDEF_R_MATCHING_UNDEF_R, UNDEF_R_MATCHING_GROUP_H, UNDEF_R_MATCHING_GROUP_H_EMPTY, Constant Field Values
  - UNDEF_R_MATCHING_GROUP_H
```
static final int UNDEF_R_MATCHING_GROUP_H
```
    Option value constant. Undefined R-atom in query matches a group of one or more connected atoms, which can also be a single H atom.
    
    Since:
    
    JChem 5.3
    
    See Also:
    
    UNDEF_R_MATCHING_ALL, UNDEF_R_MATCHING_UNDEF_R, UNDEF_R_MATCHING_GROUP, UNDEF_R_MATCHING_GROUP_H_EMPTY, Constant Field Values
  - UNDEF_R_MATCHING_GROUP_H_EMPTY
```
static final int UNDEF_R_MATCHING_GROUP_H_EMPTY
```
    Option value constant. Undefined R-atom in query matches a group of one or more connected atoms, which can also be a single H atom or the empty set.
    
    Since:
    
    JChem 5.3
    
    See Also:
    
    UNDEF_R_MATCHING_ALL, UNDEF_R_MATCHING_UNDEF_R, UNDEF_R_MATCHING_GROUP, UNDEF_R_MATCHING_GROUP_H, Constant Field Values
  - HIT_ORDERING_NONE
```
static final int HIT_ORDERING_NONE
```
    Option value constant. Hit ordering type: no ordering.
    
    Since:
    
    JChem 5.4
    
    See Also:
    
    HIT_ORDERING_UNDEF_R_MATCHING_GROUP_FIRST, Constant Field Values
  - HIT_ORDERING_UNDEF_R_MATCHING_GROUP_FIRST
```
static final int HIT_ORDERING_UNDEF_R_MATCHING_GROUP_FIRST
```
    Option value constant. Hit ordering type for undefined R-atom matching. If this option is set then R-atom heavy group matches are given precedence in order of R-group ID.
    
    Since:
    
    JChem 5.4
    
    See Also:
    
    HIT_ORDERING_UNDEF_R_MATCHING_GROUP_FIRST, Constant Field Values
  - POSITION_ON_0TH_HEAVY_ATOM
```
static final int POSITION_ON_0TH_HEAVY_ATOM
```
    Hit constant denoting hit position of a non-heavy atom (e.g. implicit H, lone pair, ...) on the atom by index 0.
    
    Since:
    
    JChem 5.11.4
    
    See Also:
    
    Constant Field Values
  - HIT_R
```
static final int HIT_R
```
    Hit constant denoting R-node matches in case of R-group search.
    
    Since:
    
    JChem 5.3
    
    See Also:
    
    Constant Field Values
  - HIT_MULTICENTER
```
static final int HIT_MULTICENTER
```
    Hit constant denoting multicenter atoms in query.
    
    Since:
    
    JChem 5.3
    
    See Also:
    
    Constant Field Values
  - HIT_UNMAPABLE
```
static final int HIT_UNMAPABLE
```
    Hit constant denoting unmapable atoms in query (e.g. star atoms in polymerization).
    
    Since:
    
    JChem 5.3
    
    See Also:
    
    Constant Field Values
  - HIT_LP
```
static final int HIT_LP
```
    Hit constant denoting isolated lone-pair match.
    
    Since:
    
    JChem 5.3
    
    See Also:
    
    Constant Field Values
  - HIT_R_EMPTY_MATCH
```
static final int HIT_R_EMPTY_MATCH
```
    Hit constant denoting R-node empty match.
    
    Since:
    
    JChem 5.3
    
    See Also:
    
    Constant Field Values
  - HIT_NON_R
```
static final int HIT_NON_R
```
    Dummy hit constant used temporarily in BackTrack for denoting a non-R-node match.
    
    Since:
    
    JChem 5.3
    
    See Also:
    
    Constant Field Values
  - HIT_EXCLUDEDQ
```
static final int HIT_EXCLUDEDQ
```
    Hit constant denoting excluded query atom.
    - Excluded query atoms
    - Hydrogens receive this constant in case of ignoring hydrogens.
    Since:
    
    JChem 5.3
    
    See Also:
    
    Constant Field Values
  - ATTACHMENT_NONE
```
static final int ATTACHMENT_NONE
```
    Constant for attachment point representation in ligands: none (no attachment point data).
    
    See Also:
    
    Constant Field Values
  - ATTACHMENT_POINT
```
static final int ATTACHMENT_POINT
```
    Constant for attachment point representation in ligands: R-group attachment.
    
    See Also:
    
    Constant Field Values
  - ATTACHMENT_MAP
```
static final int ATTACHMENT_MAP
```
    Constant for attachment point representation in ligands: sets attachment points by MolAtom.setAtomMap(int). Maps with R-group ID: 1 for R1, 2 for R2, ...
    
    See Also:
    
    Constant Field Values
  - ATTACHMENT_LABEL
```
static final int ATTACHMENT_LABEL
```
    Constant for attachment point representation in ligands: sets attachment points by MolAtom.setExtraLabel(java.lang.String) Labels with R-group ID: "1" for R1, "2" for R2, ...
    
    See Also:
    
    Constant Field Values
  - ATTACHMENT_RLABEL
```
static final int ATTACHMENT_RLABEL
```
    Constant for attachment point representation in ligands: sets attachment points by MolAtom.setExtraLabel(java.lang.String). Labels with full R-atom name: "R1" for R1, "R2" for R2, ...
    
    See Also:
    
    Constant Field Values
  - ATTACHMENT_ATOM
```
static final int ATTACHMENT_ATOM
```
    Constant for attachment point representation in ligands: sets attachment points by attaching an any-atom.
    
    See Also:
    
    Constant Field Values
  - MATCH_COUNT_BETWEEN
```
static final int MATCH_COUNT_BETWEEN
```
    See Also:
    
    Constant Field Values
  - MATCH_COUNT_RELATION
```
static final int MATCH_COUNT_RELATION
```
    See Also:
    
    Constant Field Values
  - ATTACHED_DATA_MATCH_IGNORE
```
static final int ATTACHED_DATA_MATCH_IGNORE
```
    Option value constant for ignoring attached data.
    
    Since:
    
    JChem 5.2
    
    See Also:
    
    ATTACHED_DATA_MATCH_GENERAL, ATTACHED_DATA_MATCH_EXACT, Constant Field Values
  - ATTACHED_DATA_MATCH_GENERAL
```
static final int ATTACHED_DATA_MATCH_GENERAL
```
    Option value constant for general match of attached data.
    
    Since:
    
    JChem 5.2
    
    See Also:
    
    ATTACHED_DATA_MATCH_IGNORE, ATTACHED_DATA_MATCH_EXACT, Constant Field Values
  - ATTACHED_DATA_MATCH_EXACT
```
static final int ATTACHED_DATA_MATCH_EXACT
```
    Option value constant for exact match of attached data.
    
    Since:
    
    JChem 5.2
    
    See Also:
    
    ATTACHED_DATA_MATCH_IGNORE, ATTACHED_DATA_MATCH_GENERAL, Constant Field Values

Interface SearchConstants

Field Summary

Field Detail

DEFAULT_SEARCHTYPE

NO_SCREEN

NO_ABAS

SUBSTRUCTURE

SIMILARITY

FULL

DUPLICATE

SUPERSTRUCTURE

FULL_FRAGMENT

STEREO_SPECIFIC

STEREO_IGNORE

STEREO_EXACT

STEREO_DIASTEREOMER

STEREO_ENANTIOMER

SEARCH_TYPE_NAMES

SEARCH_MODE_NAMES

DEFAULT_DISSIMILARITY_THRESHOLD

DISSIMILARITY_PROPERTY_NAME

HCOUNT_MATCHING_AUTO

HCOUNT_MATCHING_EQUAL

HCOUNT_MATCHING_GREATER_OR_EQUAL

ABS_STEREO_TABLE_OPTION

ABS_STEREO_CHIRAL_FLAG

ABS_STEREO_ALWAYS_ON

MARKUSH_HIT_ORIGINAL

MARKUSH_HIT_INNER

TAUTOMER_SEARCH_OFF

TAUTOMER_SEARCH_ON

TAUTOMER_SEARCH_DEFAULT

TAUTOMER_SEARCH_ON_IGNORE_TAUTOMERSTEREO

ISOTOPE_MATCHING_DEFAULT

ISOTOPE_MATCHING_EXACT

ISOTOPE_MATCHING_IGNORE

CHARGE_MATCHING_DEFAULT

CHARGE_MATCHING_EXACT

CHARGE_MATCHING_IGNORE

RADICAL_MATCHING_DEFAULT

RADICAL_MATCHING_EXACT

RADICAL_MATCHING_IGNORE

VAGUE_BOND_OFF

VAGUE_BOND_LEVEL1

VAGUE_BOND_LEVEL_HALF

VAGUE_BOND_DEFAULT

VAGUE_BOND_LEVEL2

VAGUE_BOND_LEVEL3

VAGUE_BOND_LEVEL4

STEREO_MODEL_DEFAULT

STEREO_MODEL_LOCAL

STEREO_MODEL_COMPREHENSIVE

STEREO_MODEL_GLOBAL

IMPLICIT_H_MATCHING_DEFAULT

IMPLICIT_H_MATCHING_ENABLED

IMPLICIT_H_MATCHING_DISABLED

IMPLICIT_H_MATCHING_IGNORE

UNDEF_R_MATCHING_ALL

UNDEF_R_MATCHING_UNDEF_R

UNDEF_R_MATCHING_GROUP

UNDEF_R_MATCHING_GROUP_H

UNDEF_R_MATCHING_GROUP_H_EMPTY

HIT_ORDERING_NONE

HIT_ORDERING_UNDEF_R_MATCHING_GROUP_FIRST

POSITION_ON_0TH_HEAVY_ATOM

HIT_R

HIT_MULTICENTER

HIT_UNMAPABLE

HIT_LP

HIT_R_EMPTY_MATCH

HIT_NON_R

HIT_EXCLUDEDQ

ATTACHMENT_NONE

ATTACHMENT_POINT

ATTACHMENT_MAP

ATTACHMENT_LABEL

ATTACHMENT_RLABEL

ATTACHMENT_ATOM

MATCH_COUNT_BETWEEN

MATCH_COUNT_RELATION