How to Use JChemSearch to set the FlexMatch searcher, thanks

1. what is flexmatch's search type?


(Example: Exact is search type is JChemSearch.Exact, so , i want to use flexmatch's search type, what is it ? )





2. how to set the search property.


i need set the following property, but , don't no which API are to use to set these property.


( Fragments, Hydrogen count , Isotopes , Metal bonds , Radicals , Salts ,Stereoconfiguration ,Valence )





3. JRadioButton property set


Type of Charge Match( Atom charges, Ion charges, Both off)


Type of Bond Match ( Bond Type, Tautomer, Both off)


which API to use to set selected JRadioButton's .





Please Look the pic of appendix.


thank you very much.

How to set JChemSearch's property to make flexmatch search come true

Hello,

jim3114_cn wrote:

1. what is flexmatch's search type?

There is no specific search type for flex match, but there are many different search options which can be set for all search types.





The API documentation of JChemSearch describes all the different options:


http://www.chemaxon.com/jchem/doc/api/chemaxon/jchem/db/JChemSearch.html


You may also find the JChem Query Guide useful: http://www.chemaxon.com/jchem/doc/user/Query.html width="90%" cellspacing="0" cellpadding="3" border="0" align="center"> jim3114_cn wrote: 2. how to set the search property.


i need set the following property, but , don't no which API are to use to set these property.


( Fragments, I suggest EXACT_FRAGMENT search type. See: http://www.chemaxon.com/jchem/doc/user/Query.html#otherSearchTypes width="90%" cellspacing="0" cellpadding="3" border="0" align="center"> jim3114_cn wrote: Hydrogen count Currently there is no way to turn this off.

jim3114_cn wrote:

Isotopes

See setOption() with OPTION_ISOTOPE_MATCHING.

jim3114_cn wrote:

Metal bonds

There is no option to handle these.

jim3114_cn wrote:

Radicals

See setOption() with OPTION_RADICAL_MATCHING.

jim3114_cn wrote:

Salts

For salt searches, I suggest EXACT_FRAGMENT search type again, or check out Standardizer: http://www.chemaxon.com/jchem/doc/user/Standardizer_files/examples/Examples.html

jim3114_cn wrote:

Stereoconfiguration

See setStereoSearch()

jim3114_cn wrote:

Valence

See setOption() with OPTION_VALENCE_MATCHING.

jim3114_cn wrote:

Type of Charge Match( Atom charges, Ion charges, Both off)

See setOption() with OPTION_CHARGE_MATCHING. Please note that there is no ion charges settings.

jim3114_cn wrote:

Type of Bond Match ( Bond Type, Tautomer, Both off)

To check bond types is the default setting.


For tautomer search, see setTautomerSearch(boolean value) and to ignore all bond types, see setOption(SearchConstants.OPTION_VAGUE_BOND, SearchConstants.VAGUE_BOND_LEVEL4)





Please do not hesitate to ask if you have any further questions.





(I will delete the other similar topics.)





Szabolcs

thank you very much!


i am try it.