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MemorySearch Class

MemorySearch enables fast chemical structure in memory Example:
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MemorySearch ms = new MemorySearch();
ms.AddSdf("compounds.sdf");
MemorySearch.Record[] list = ms.Search("c1ccccc1", MemorySearch.SearchMode.Substructure, 100);
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Inheritance Hierarchy
SystemObject
  Scilligence.MolEngineMemorySearch

Namespace:  Scilligence.MolEngine
Assembly:  Scilligence.MolEngine (in Scilligence.MolEngine.dll) Version: 1.3.0.0 (7.0.0.39951)
Syntax
C#
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public class MemorySearch

The MemorySearch type exposes the following members.

Constructors
Properties
  NameDescription
Public propertyAll
Return all records in MememorySearch
Public propertyCaseSensitive
Public propertyCount
Returns the total number of records
Public propertyHasHits
Public propertyHighlighting
A color to highligh query structure in results. This is only be used in substructure search. Using Color.Empty if not highlighting it.
Public propertyHitCount
Public propertyHits
Returns all search hits
Public propertyItem
Return the i-th record
Public propertyMatchAtomCharge
The flag to indicate if matching atom formal charge. The default is False.
Public propertyMatchAtomType
The flag to indicate if matching atom types. The default is True.
Public propertyMatchBondType
The flag to indicate if matching bond types. The default is True.
Public propertyMatchImplicitH
The flag to indicate if matching implicit hydogrens. The default is False.
Public propertyMatchImplixcitH
Public propertyMatchStereoChemistry
The flag to indicate if matching stereochemistry. The default is False.
Public propertyPassword
MolEngine database (*.molengine) can be encrypted with password. When loading an encrypted MolEngine database, password has to be set before call MemorySearch.Read(). A password can be specified when MemorySearch.Save to MolEngine database
Public propertyPrimaryKey
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Methods
  NameDescription
Public methodAdd(MemorySearchRecord)
Public methodAdd(MemorySearchRecord)
Public methodAdd(Molecule, DictionaryString, Object)
Add a new recorc to MemorySearch
Public methodAddCSV(Stream)
Public methodAddCSV(TextReader)
Public methodAddCSV(String)
Public methodAddCSV(Stream, Encoding)
Public methodAddCSV(String, Encoding)
Public methodAddCSVContents
Public methodAddFromDatabase
Public methodAddFromFile(String, String)
Public methodAddFromFile(String, String, ListMemorySearchRecord)
Public methodAddSdf(Stream)
Append all records of the whole sdf to MememorySearch
Public methodAddSdf(TextReader)
Public methodAddSdf(String)
Append all records of the whole sdf to MememorySearch
Public methodAddSdf(Stream, ListMemorySearchRecord)
Public methodAddSdf(Stream, Encoding)
Public methodAddSdf(TextReader, ListMemorySearchRecord)
Public methodAddSdf(String, ListMemorySearchRecord)
Public methodAddSdf(String, Encoding)
Public methodAddSdf(Stream, Encoding, ListMemorySearchRecord)
Public methodAddSdf(String, Encoding, ListMemorySearchRecord)
Public methodAddSdfContents
Public methodClear
Remove all records in MemorySearch
Public methodClearHighlighting
Clear highlighting color from the last search
Public methodCombineByStructures
Public methodConvertName2Structure
Public methodEquals
Determines whether the specified Object is equal to the current Object.
(Inherited from Object.)
Protected methodFinalize
Allows an object to try to free resources and perform other cleanup operations before it is reclaimed by garbage collection.
(Inherited from Object.)
Public methodFindDuplicates
Public methodGetAttribute
Public methodGetColumns
Public methodGetHashCode
Serves as a hash function for a particular type.
(Inherited from Object.)
Public methodGetHit
Public methodGetItemRange
Public methodGetRecordByPK
Public methodGetType
Gets the Type of the current instance.
(Inherited from Object.)
Public methodGetUniqueValues
Public methodHasPrimaryKey
Public methodInsertHit
Public methodInsertRecord
Public methodStatic memberIsEncrypted
Test is the given file is a encrypted MolEngine database
Public methodMakeScaffold
Protected methodMemberwiseClone
Creates a shallow copy of the current Object.
(Inherited from Object.)
Public methodMerge
Public methodPurge
Physically remove all record marked as deleted - Record.deleted is set to True
Public methodRead(String)
Read/Append a MolEngine database to MememorySearch
Public methodRead(Stream, Boolean)
Public methodRead(String, Boolean)
Public methodRead(String, Encoding)
Public methodRemove(MemorySearchRecord)
Public methodRemove(Int32, Int32)
Public methodRemoveHit
Public methodResetHits
Public methodReverse
Public methodReverseHits
Public methodSave
Save the whole MememorySearch to a MolEngine database. When Password is set before call Save(), the database will be encrypted.
Public methodSaveCSV(Stream, String)
Public methodSaveCSV(TextWriter, String)
Public methodSaveCSV(String, String)
Public methodSaveHtml
Public methodSaveMolEngine
Public methodSaveSDF(Stream)
Public methodSaveSDF(TextWriter)
Public methodSaveSDF(String)
Save MememorySearch to a SDF file
Public methodSaveSDF(TextWriter, Boolean)
Save MememorySearch to a SDF file
Public methodStatic memberScript2Filter
Public methodSearch(String, MemorySearchSearchMode, Int32)
Perform a chemical structure
Public methodSearch(Molecule, MemorySearchSearchMode, Int32)
Perform a chemical structure
Public methodSearch(Molecule, MemorySearchSearchMode, Int32, Double)
Perform a chemical structure
Public methodSearch(Molecule, MemorySearchSearchMode, Int32, Double, MemorySearchFilter)
Perform a chemical structure with filtering.
Public methodSearch(Molecule, MemorySearchSearchMode, Int32, Double, MemorySearchFilter, Boolean)
Public methodSearch2(Molecule, MemorySearchSearchMode, Int32, Double, String)
Public methodSearch2(ListMemorySearchRecord, Molecule, MemorySearchSearchMode, Int32, Double, MemorySearchFilter, Boolean)
Public methodSearch2(SharedListMemorySearchRecord, Molecule, MemorySearchSearchMode, Int32, Double, MemorySearchFilter, Boolean, ListMemorySearchRecord)
Public methodSetAttribute
Public methodSetPrimaryKey
Public methodSortByData(String)
Public methodSortByData(String, Boolean)
Public methodSortByScore
Sort the seach result list by similarity score
Public methodStatic memberSortByScore(MemorySearchRecord)
Sort the seach result list by similarity score
Public methodSortByStructure
Public methodSortHitsByData(String)
Public methodSortHitsByData(String, Boolean)
Public methodSortHitsByStructure
Public methodToString
Returns a string that represents the current object.
(Inherited from Object.)
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Fields
See Also