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108 lines
3.5 KiB
C
108 lines
3.5 KiB
C
// $Id$
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//
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// Copyright (c) 2010, Novartis Institutes for BioMedical Research Inc.
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// All rights reserved.
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//
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// Redistribution and use in source and binary forms, with or without
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// modification, are permitted provided that the following conditions are
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// met:
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//
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// * Redistributions of source code must retain the above copyright
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// notice, this list of conditions and the following disclaimer.
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// * Redistributions in binary form must reproduce the above
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// copyright notice, this list of conditions and the following
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// disclaimer in the documentation and/or other materials provided
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// with the distribution.
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// * Neither the name of Novartis Institutes for BioMedical Research Inc.
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// nor the names of its contributors may be used to endorse or promote
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// products derived from this software without specific prior written permission.
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//
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// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
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// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
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// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
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// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
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// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
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// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
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// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
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// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
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// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
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// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
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// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
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//
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#include "postgres.h"
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#include "fmgr.h"
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#include "utils/guc.h"
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#include "rdkit.h"
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static double rdkit_tanimoto_smlar_limit = 0.5;
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static double rdkit_dice_smlar_limit = 0.5;
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static bool rdkit_guc_inited = false;
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#if PG_VERSION_NUM < 80400
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#error The earliest supported postgresql version is 8.4
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#endif
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static void
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initRDKitGUC()
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{
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if (rdkit_guc_inited)
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return;
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DefineCustomRealVariable(
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"rdkit.tanimoto_threshold",
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"Lower threshold of Tanimoto similarity",
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"Molecules with similarity lower than threshold are not similar by % operation",
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&rdkit_tanimoto_smlar_limit,
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0.5,
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0.0,
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1.0,
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PGC_USERSET,
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0,
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NULL,
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#if PG_VERSION_NUM >= 90000
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NULL,
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#endif
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NULL
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);
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DefineCustomRealVariable(
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"rdkit.dice_threshold",
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"Lower threshold of Dice similarity",
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"Molecules with similarity lower than threshold are not similar by # operation",
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&rdkit_dice_smlar_limit,
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0.5,
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0.0,
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1.0,
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PGC_USERSET,
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0,
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NULL,
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#if PG_VERSION_NUM >= 90000
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NULL,
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#endif
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NULL
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);
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rdkit_guc_inited = true;
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}
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double
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getTanimotoLimit(void) {
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if (!rdkit_guc_inited)
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initRDKitGUC();
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return rdkit_tanimoto_smlar_limit;
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}
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double
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getDiceLimit(void) {
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if (!rdkit_guc_inited)
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initRDKitGUC();
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return rdkit_dice_smlar_limit;
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}
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void _PG_init(void);
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void
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_PG_init(void) {
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initRDKitGUC();
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}
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