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gezelter |
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/********************************************************************** |
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Copyright (C) 2002 by Steffen Reith <streit@streit.cc> |
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Some portions Copyright (C) 2003-2005 by Geoffrey R. Hutchison |
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Some portions Copyright (C) 2004 by Chris Morley |
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This program is free software; you can redistribute it and/or modify |
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it under the terms of the GNU General Public License as published by |
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the Free Software Foundation version 2 of the License. |
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This program is distributed in the hope that it will be useful, |
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but WITHOUT ANY WARRANTY; without even the implied warranty of |
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MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the |
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GNU General Public License for more details. |
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***********************************************************************/ |
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#ifndef OB_POVRAYFORMAT_HPP |
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#define OB_POVRAYFORMAT_HPP |
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/* ---- C includes ---- */ |
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#include <math.h> |
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#include <time.h> |
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#include <stdlib.h> |
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/* ---- OpenBabel include ---- */ |
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#include "config.h" |
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#include "mol.hpp" |
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#include "obconversion.hpp" |
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/* ---- C++ includes ---- */ |
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#include <string> |
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#if defined(HAVE_SSTREAM) |
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#include <sstream> |
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#else |
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#include <strstream> |
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#endif |
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/* ---- Max. length of a atom-label ---- */ |
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#define StrLen 32 |
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/* ---- Define max. length of domainname ---- */ |
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#define MAXDOMAINNAMELEN 256 |
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/* ---- Maximal radius of an atom. Needed for bounding box ---- */ |
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#define MAXRADIUS (double) 3.0 |
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/* ---- Define index of first atom if needed ---- */ |
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#ifndef MIN_ATOM |
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#define MIN_ATOM 1 |
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#endif |
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/* ---- Size of time-string ---- */ |
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#define TIME_STR_SIZE 64 |
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/* ---- if x < = EPSILON then x = 0.0 ---- */ |
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#define EPSILON (double) 1e-4 |
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/* ---- Define makro for calculating x^2 ---- */ |
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#ifdef SQUARE |
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#undef SQUARE |
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#endif |
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#define SQUARE(x) ((x) * (x)) |
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/* ---- Define PI (if needed) ---- */ |
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#ifndef PI |
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#define PI ((double) 3.1415926535897932384626433) |
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#endif |
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/* ---- Convert RAD to DEG ---- */ |
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#define RAD2DEG(r) (((double) 180.0 * r) / PI) |
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using namespace std; |
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namespace OpenBabel |
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{ |
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class PovrayFormat : public OBFormat |
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{ |
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public: |
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//Register this format type ID |
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PovrayFormat() |
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{ |
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OBConversion::RegisterFormat("pov",this); |
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} |
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virtual const char* Description() //required |
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{ |
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return |
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"POV-Ray input format\n \ |
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No comments yet\n"; |
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}; |
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virtual const char* SpecificationURL() |
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{return "http://www.povray.org/";}; //optional |
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//Flags() can return be any the following combined by | or be omitted if none apply |
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// NOTREADABLE READONEONLY NOTWRITABLE WRITEONEONLY |
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virtual unsigned int Flags() |
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{ |
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return NOTREADABLE | WRITEONEONLY; |
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}; |
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//////////////////////////////////////////////////// |
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/// The "API" interface functions |
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virtual bool WriteMolecule(OBBase* pOb, OBConversion* pConv); |
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//////////////////////////////////////////////////// |
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/// The "Convert" interface functions |
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virtual bool WriteChemObject(OBConversion* pConv) |
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{ |
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//Retrieve the target OBMol |
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OBBase* pOb = pConv->GetChemObject(); |
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OBMol* pmol = dynamic_cast<OBMol*> (pOb); |
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bool ret=false; |
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if(pmol) |
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ret=WriteMolecule(pmol,pConv); |
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std::string auditMsg = "OpenBabel::Write molecule "; |
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std::string description(Description()); |
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auditMsg += description.substr( 0, description.find('\n') ); |
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obErrorLog.ThrowError(__func__, |
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auditMsg, |
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obAuditMsg); |
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delete pOb; |
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return ret; |
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}; |
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}; |
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} |
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#endif |
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