CavitySearch.h

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//===-- CavitySearch.h - CavitySearch operation -----------------*- C++ -*-===//
//
// Part of the RxDock project, under the GNU LGPL version 3.
// Visit https://rxdock.gitlab.io/ for more information.
// Copyright (c) 1998--2006 RiboTargets (subsequently Vernalis (R&D) Ltd)
// Copyright (c) 2006--2012 University of York
// Copyright (c) 2012--2014 University of Barcelona
// Copyright (c) 2019--2020 RxTx
// SPDX-License-Identifier: LGPL-3.0-only
//
//===----------------------------------------------------------------------===//
//===----------------------------------------------------------------------===//
 
#ifndef RXDOCK_OPERATION_CAVITYSEARCH_H
#define RXDOCK_OPERATION_CAVITYSEARCH_H
 
#include "rxdock/support/Export.h"
 
#include <string>
 
namespace rxdock {
namespace operation {
 
RBTDLL_EXPORT int cavitySearch(std::string strReceptorPrmFile,
                               bool readDockingSite, bool writeDockingSite,
                               bool writeMOEGrid, bool writeInsightII,
                               bool writePsfCrd, bool listAtoms,
                               double listDistance, bool printSiteDescriptors,
                               double border);
 
} // namespace operation
} // namespace rxdock
 
#endif // RXDOCK_OPERATION_CAVITYSEARCH_H