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9188c70a64
* add overrides for what() * translation fot KeyErrorException; update tests * Switch all exceptions to `const char *` as a return type from message() (#4) * switch return type of message() from std::string to const char * * adjust one test to the new return type from message() remove unnecessary verbosity from some tests * fix cartridge build: update call to message().c_str() * rebase agains master; fix another issue in cartridge build * add deprecation note for message() and getMessage() * amend Release notes Co-authored-by: Greg Landrum <greg.landrum@gmail.com>
56 lines
1.6 KiB
C++
56 lines
1.6 KiB
C++
//
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// Copyright (C) 2005-2006 Rational Discovery LLC
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//
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// @@ All Rights Reserved @@
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// This file is part of the RDKit.
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// The contents are covered by the terms of the BSD license
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// which is included in the file license.txt, found at the root
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// of the RDKit source tree.
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//
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#include <RDGeneral/export.h>
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#ifndef _GRID3D_H_20050124_1113
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#define _GRID3D_H_20050124_1113
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#include <exception>
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#include <string>
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namespace RDKit {
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class DiscreteValueVect;
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}
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namespace RDGeom {
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class Point3D;
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class RDKIT_RDGEOMETRYLIB_EXPORT GridException : public std::exception {
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public:
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//! construct with an error message
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GridException(const char *msg) : _msg(msg){};
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//! construct with an error message
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GridException(const std::string &msg) : _msg(msg){};
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//! get the error message
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const char *what() const noexcept override { return _msg.c_str(); };
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const char *message() const noexcept { return what(); };
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~GridException() noexcept {};
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private:
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std::string _msg;
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};
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//! Virtual base class for a grid object
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class RDKIT_RDGEOMETRYLIB_EXPORT Grid3D {
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public:
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virtual ~Grid3D(){};
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virtual int getGridPointIndex(const Point3D &point) const = 0;
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virtual int getVal(const Point3D &point) const = 0;
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virtual void setVal(const Point3D &point, unsigned int val) = 0;
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virtual Point3D getGridPointLoc(unsigned int pointId) const = 0;
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virtual unsigned int getVal(unsigned int pointId) const = 0;
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virtual void setVal(unsigned int pointId, unsigned int val) = 0;
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virtual unsigned int getSize() const = 0;
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virtual const RDKit::DiscreteValueVect *getOccupancyVect() const = 0;
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};
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} // namespace RDGeom
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#endif
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