mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-03 21:44:30 +08:00
65 lines
2.6 KiB
OpenEdge ABL
65 lines
2.6 KiB
OpenEdge ABL
/*
|
|
* $Id$
|
|
*
|
|
* Copyright (c) 2010, Novartis Institutes for BioMedical Research Inc.
|
|
* All rights reserved.
|
|
*
|
|
* Redistribution and use in source and binary forms, with or without
|
|
* modification, are permitted provided that the following conditions are
|
|
* met:
|
|
*
|
|
* * Redistributions of source code must retain the above copyright
|
|
* notice, this list of conditions and the following disclaimer.
|
|
* * Redistributions in binary form must reproduce the above
|
|
* copyright notice, this list of conditions and the following
|
|
* disclaimer in the documentation and/or other materials provided
|
|
* with the distribution.
|
|
* * Neither the name of Novartis Institutes for BioMedical Research Inc.
|
|
* nor the names of its contributors may be used to endorse or promote
|
|
* products derived from this software without specific prior written permission.
|
|
*
|
|
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
|
|
* "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
|
|
* LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
|
|
* A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
|
|
* OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
|
|
* SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
|
|
* LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
|
|
* DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
|
|
* THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
|
|
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
|
|
* OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
|
|
*/
|
|
|
|
%typemap(javaimports) RDKit::TDTMolSupplier "
|
|
/**
|
|
lazy file parser for TDT files */"
|
|
|
|
%javamethodmodifiers RDKit::TDTMolSupplier::TDTMolSupplier ( const std::string & fileName, const std::string & nameRecord = "", int confId2D = -1, int confId3D = 0, bool sanitize = true ) "
|
|
/**
|
|
<p>
|
|
<p>
|
|
@param
|
|
fileName - the name of the TDT file
|
|
nameRecord - property name for the molecule name. If empty (the default), the name defaults to be empty
|
|
confId2D - if >=0 and 2D coordinates are provided, the 2D structure (depiction) in the input will be read into the corresponding conformer id.
|
|
confId3D - if >=0 and 3D coordinates are provided, the 3D structure (depiction) in the input will be read into the corresponding conformer id.
|
|
sanitize - if true sanitize the molecule before returning it
|
|
|
|
*/
|
|
public";
|
|
|
|
%javamethodmodifiers RDKit::TDTMolSupplier::getItemText ( unsigned int idx ) "
|
|
/**
|
|
<p>
|
|
<p>
|
|
@return
|
|
the text block for a particular item
|
|
<p>
|
|
@param
|
|
idx - which item to return
|
|
|
|
*/
|
|
public";
|
|
|