ambit2.db.search.structure

Class QueryPrescreenBitSet

java.lang.Object

ambit2.db.search.AbstractQuery<F,T,C,IStructureRecord>

ambit2.db.search.structure.AbstractStructureQuery<BitSet,BitSet,net.idea.modbcum.q.conditions.NumberCondition>

ambit2.db.search.structure.QueryPrescreenBitSet

All Implemented Interfaces:

Serializable, net.idea.modbcum.i.IParameterizedQuery<BitSet,BitSet,net.idea.modbcum.q.conditions.NumberCondition>, net.idea.modbcum.i.IQueryObject<IStructureRecord>, net.idea.modbcum.i.IQueryRetrieval<IStructureRecord>, net.idea.modbcum.i.IRetrieval<IStructureRecord>, net.idea.modbcum.i.IStatement

public class QueryPrescreenBitSet
extends AbstractStructureQuery<BitSet,BitSet,net.idea.modbcum.q.conditions.NumberCondition>

First bitset is from structural keys, second from fingerprints

Author:

nina

select SQL_NO_CACHE -1 as idquery,s1.idchemical,s1.idstructure,if(s1.type_structure='NA',0,1) as selected,s1.preference as metric,null as text,-1 as idproperty
FROM structure s1
LEFT JOIN structure s2 ON s1.idchemical = s2.idchemical  AND (1E10*s1.preference+s1.idstructure) > (1E10*s2.preference+s2.idstructure)
join (

select idchemical from fp1024 fp join sk1024 sk using(idchemical)
where (bit_count('207704626823199' & sk.fp1) + bit_count('0' & sk.fp2) + bit_count('0' & sk.fp3) +
bit_count('0' & sk.fp4) + bit_count('0' & sk.fp5) + bit_count('0' & sk.fp6) + bit_count('0' & sk.fp7) +
bit_count('0' & sk.fp8) + bit_count('0' & sk.fp9) + bit_count('0' & sk.fp10) + bit_count('0' & sk.fp11) +
bit_count('0' & sk.fp12) + bit_count('0' & sk.fp13) + bit_count('0' & sk.fp14) + bit_count('0' & sk.fp15) +
bit_count('0' & sk.fp16))=15
and
(bit_count('0' & fp.fp1) + bit_count('2147483648' & fp.fp2) +
bit_count('8589934592' & fp.fp3) + bit_count('2305843009215799296' & fp.fp4) +
bit_count('0' & fp.fp5) + bit_count('0' & fp.fp6) + bit_count('128' & fp.fp7) +
bit_count('0' & fp.fp8) + bit_count('4611686018427387904' & fp.fp9) + bit_count('137438953472' & fp.fp10) +
bit_count('0' & fp.fp11) + bit_count('2615635083264' & fp.fp12) + bit_count('0' & fp.fp13) +
bit_count('0' & fp.fp14) + bit_count('8589934592' & fp.fp15) + bit_count('0' & fp.fp16))=13

) a on a.idchemical=s1.idchemical
where s2.idchemical is null
and s1.type_structure != 'NA'
 limit 0,1000;
 

See Also:

Serialized Form

Nested Class Summary

Nested classes/interfaces inherited from class ambit2.db.search.structure.AbstractStructureQuery

AbstractStructureQuery.FIELD_NAMES

Field Summary

Fields

Modifier and Type	Field and Description
protected boolean	chemicalsOnly
protected String	fp_prescreen
protected String	sk_prescreen
protected String	sql_all
protected String	sql_chemical
protected String	sql_exact
protected String	sql_prescreen
protected String	sql_struc

Fields inherited from class ambit2.db.search.structure.AbstractStructureQuery

group, nanomaterial, order_descendant, where_group

Fields inherited from class ambit2.db.search.AbstractQuery

condition, fieldname, id, logger, maxRecords, name, page, selected, value

Fields inherited from interface net.idea.modbcum.i.IQueryRetrieval

NaN

Constructor Summary

Constructors

Constructor and Description
QueryPrescreenBitSet()

Method Summary

Modifier and Type	Method and Description
protected void	bitset2params(BitSet bitset, List<net.idea.modbcum.i.query.QueryParam> params)
double	calculateMetric(IStructureRecord item)
List<net.idea.modbcum.i.query.QueryParam>	getParameters()
String	getSQL()
boolean	isChemicalsOnly()
boolean	isPrescreen()
void	setChemicalsOnly(boolean chemicalsOnly)
String	toString()

Methods inherited from class ambit2.db.search.structure.AbstractStructureQuery

getObject, isNanomaterial, isOrder_descendant, isPreferredStructure, retrieveMetric, retrieveStrucType, retrieveValue, setNanomaterial, setOrder_descendant

Methods inherited from class ambit2.db.search.AbstractQuery

getCategory, getCondition, getFieldname, getId, getKey, getName, getPage, getPageSize, getValue, isSelected, setCondition, setFieldname, setId, setName, setPage, setPageSize, setSelected, setValue, stringify, supportsPaging, test

Methods inherited from class java.lang.Object

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

Methods inherited from interface net.idea.modbcum.i.IQueryObject

getCategory, getId, getKey, getPage, getPageSize, setId, setPage, setPageSize, supportsPaging

Field Detail

sql_struc

protected String sql_struc

sql_chemical

protected String sql_chemical

sk_prescreen

protected String sk_prescreen

fp_prescreen

protected String fp_prescreen

sql_all

protected String sql_all

sql_prescreen

protected String sql_prescreen

sql_exact

protected String sql_exact

chemicalsOnly

protected boolean chemicalsOnly

Constructor Detail

QueryPrescreenBitSet

public QueryPrescreenBitSet()

Method Detail

isChemicalsOnly

public boolean isChemicalsOnly()

Overrides:

isChemicalsOnly in class AbstractStructureQuery<BitSet,BitSet,net.idea.modbcum.q.conditions.NumberCondition>

setChemicalsOnly

public void setChemicalsOnly(boolean chemicalsOnly)

Overrides:

setChemicalsOnly in class AbstractStructureQuery<BitSet,BitSet,net.idea.modbcum.q.conditions.NumberCondition>

getSQL

public String getSQL()
              throws net.idea.modbcum.i.exceptions.AmbitException

Throws:

net.idea.modbcum.i.exceptions.AmbitException

bitset2params

protected void bitset2params(BitSet bitset,
                             List<net.idea.modbcum.i.query.QueryParam> params)
                      throws net.idea.modbcum.i.exceptions.AmbitException

Throws:

net.idea.modbcum.i.exceptions.AmbitException

getParameters

public List<net.idea.modbcum.i.query.QueryParam> getParameters()
                                                        throws net.idea.modbcum.i.exceptions.AmbitException

Throws:

net.idea.modbcum.i.exceptions.AmbitException

toString

public String toString()

Overrides:

toString in class AbstractQuery<BitSet,BitSet,net.idea.modbcum.q.conditions.NumberCondition,IStructureRecord>

calculateMetric

public double calculateMetric(IStructureRecord item)

Specified by:

calculateMetric in interface net.idea.modbcum.i.IQueryRetrieval<IStructureRecord>

Overrides:

calculateMetric in class AbstractStructureQuery<BitSet,BitSet,net.idea.modbcum.q.conditions.NumberCondition>

isPrescreen

public boolean isPrescreen()

Specified by:

isPrescreen in interface net.idea.modbcum.i.IQueryRetrieval<IStructureRecord>

Overrides:

isPrescreen in class AbstractStructureQuery<BitSet,BitSet,net.idea.modbcum.q.conditions.NumberCondition>