src/openbabel/povrayformat.hpp

/**********************************************************************
Copyright (C) 2002 by Steffen Reith <streit@streit.cc>
Some portions Copyright (C) 2003-2005 by Geoffrey R. Hutchison
Some portions Copyright (C) 2004 by Chris Morley
 
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation version 2 of the License.
 
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
GNU General Public License for more details.
***********************************************************************/

#ifndef OB_POVRAYFORMAT_HPP
#define OB_POVRAYFORMAT_HPP

/* ---- C includes ---- */
#include <math.h>
#include <time.h>
#include <stdlib.h>

/* ---- OpenBabel include ---- */
#include "config.h"
#include "mol.hpp"
#include "obconversion.hpp"

/* ---- C++ includes ---- */
#include <string>
#if defined(HAVE_SSTREAM)
#include <sstream>
#else
#include <strstream>
#endif

/* ---- Max. length of a atom-label ---- */
#define StrLen 32

/* ---- Define max. length of domainname ---- */
#define MAXDOMAINNAMELEN 256

/* ---- Maximal radius of an atom. Needed for bounding box ---- */
#define MAXRADIUS (double) 3.0

/* ---- Define index of first atom if needed ---- */
#ifndef MIN_ATOM
#define MIN_ATOM 1
#endif

/* ---- Size of time-string ---- */
#define TIME_STR_SIZE 64

/* ---- if x < = EPSILON then x = 0.0 ---- */
#define EPSILON (double) 1e-4

/* ---- Define makro for calculating x^2 ---- */
#ifdef SQUARE
#undef SQUARE
#endif
#define SQUARE(x) ((x) * (x))

/* ---- Define PI (if needed) ---- */
#ifndef PI
#define PI ((double) 3.1415926535897932384626433)
#endif

/* ---- Convert RAD to DEG ---- */
#define RAD2DEG(r) (((double) 180.0 * r) / PI)

using namespace std;
namespace OpenBabel
{

class PovrayFormat : public OBFormat
{
public:
    //Register this format type ID
    PovrayFormat()
    {
        OBConversion::RegisterFormat("pov",this);
    }

    virtual const char* Description() //required
    {
        return
            "POV-Ray input format\n \
            No comments yet\n";
    };

  virtual const char* SpecificationURL()
  {return "http://www.povray.org/";}; //optional

    //Flags() can return be any the following combined by | or be omitted if none apply
    // NOTREADABLE  READONEONLY  NOTWRITABLE  WRITEONEONLY
    virtual unsigned int Flags()
    {
        return NOTREADABLE | WRITEONEONLY;
    };

    ////////////////////////////////////////////////////
    /// The "API" interface functions
    virtual bool WriteMolecule(OBBase* pOb, OBConversion* pConv);

    ////////////////////////////////////////////////////
    /// The "Convert" interface functions
    virtual bool WriteChemObject(OBConversion* pConv)
    {
        //Retrieve the target OBMol
        OBBase* pOb = pConv->GetChemObject();
        OBMol* pmol = dynamic_cast<OBMol*> (pOb);
        bool ret=false;
        if(pmol)
            ret=WriteMolecule(pmol,pConv);

        std::string auditMsg = "OpenBabel::Write molecule ";
        std::string description(Description());
        auditMsg += description.substr( 0, description.find('\n') );
        obErrorLog.ThrowError(__func__,
                              auditMsg,
                              obAuditMsg);
        delete pOb;
        return ret;
    };
};

}
#endif
Revision:	2518
Committed:	Fri Dec 16 21:52:50 2005 UTC (18 years, 7 months ago) by tim
File size:	3465 byte(s)
Log Message:	changed __FUNCTION__ to __func__ to match C99 standard, and then added an autoconf test to check for __func__ usability. Changed some default compile flags for the Sun architecture
#	Content
1	/**********************************************************************
2	Copyright (C) 2002 by Steffen Reith <streit@streit.cc>
3	Some portions Copyright (C) 2003-2005 by Geoffrey R. Hutchison
4	Some portions Copyright (C) 2004 by Chris Morley
5
6	This program is free software; you can redistribute it and/or modify
7	it under the terms of the GNU General Public License as published by
8	the Free Software Foundation version 2 of the License.
9
10	This program is distributed in the hope that it will be useful,
11	but WITHOUT ANY WARRANTY; without even the implied warranty of
12	MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
13	GNU General Public License for more details.
14	***********************************************************************/
15
16	#ifndef OB_POVRAYFORMAT_HPP
17	#define OB_POVRAYFORMAT_HPP
18
19	/* ---- C includes ---- */
20	#include <math.h>
21	#include <time.h>
22	#include <stdlib.h>
23
24	/* ---- OpenBabel include ---- */
25	#include "config.h"
26	#include "mol.hpp"
27	#include "obconversion.hpp"
28
29	/* ---- C++ includes ---- */
30	#include <string>
31	#if defined(HAVE_SSTREAM)
32	#include <sstream>
33	#else
34	#include <strstream>
35	#endif
36
37	/* ---- Max. length of a atom-label ---- */
38	#define StrLen 32
39
40	/* ---- Define max. length of domainname ---- */
41	#define MAXDOMAINNAMELEN 256
42
43	/* ---- Maximal radius of an atom. Needed for bounding box ---- */
44	#define MAXRADIUS (double) 3.0
45
46	/* ---- Define index of first atom if needed ---- */
47	#ifndef MIN_ATOM
48	#define MIN_ATOM 1
49	#endif
50
51	/* ---- Size of time-string ---- */
52	#define TIME_STR_SIZE 64
53
54	/* ---- if x < = EPSILON then x = 0.0 ---- */
55	#define EPSILON (double) 1e-4
56
57	/* ---- Define makro for calculating x^2 ---- */
58	#ifdef SQUARE
59	#undef SQUARE
60	#endif
61	#define SQUARE(x) ((x) * (x))
62
63	/* ---- Define PI (if needed) ---- */
64	#ifndef PI
65	#define PI ((double) 3.1415926535897932384626433)
66	#endif
67
68	/* ---- Convert RAD to DEG ---- */
69	#define RAD2DEG(r) (((double) 180.0 * r) / PI)
70
71	using namespace std;
72	namespace OpenBabel
73	{
74
75	class PovrayFormat : public OBFormat
76	{
77	public:
78	//Register this format type ID
79	PovrayFormat()
80	{
81	OBConversion::RegisterFormat("pov",this);
82	}
83
84	virtual const char* Description() //required
85	{
86	return
87	"POV-Ray input format\n \
88	No comments yet\n";
89	};
90
91	virtual const char* SpecificationURL()
92	{return "http://www.povray.org/";}; //optional
93
94	//Flags() can return be any the following combined by \| or be omitted if none apply
95	// NOTREADABLE READONEONLY NOTWRITABLE WRITEONEONLY
96	virtual unsigned int Flags()
97	{
98	return NOTREADABLE \| WRITEONEONLY;
99	};
100
101	////////////////////////////////////////////////////
102	/// The "API" interface functions
103	virtual bool WriteMolecule(OBBase* pOb, OBConversion* pConv);
104
105	////////////////////////////////////////////////////
106	/// The "Convert" interface functions
107	virtual bool WriteChemObject(OBConversion* pConv)
108	{
109	//Retrieve the target OBMol
110	OBBase* pOb = pConv->GetChemObject();
111	OBMol* pmol = dynamic_cast<OBMol*> (pOb);
112	bool ret=false;
113	if(pmol)
114	ret=WriteMolecule(pmol,pConv);
115
116	std::string auditMsg = "OpenBabel::Write molecule ";
117	std::string description(Description());
118	auditMsg += description.substr( 0, description.find('\n') );
119	obErrorLog.ThrowError(__func__,
120	auditMsg,
121	obAuditMsg);
122	delete pOb;
123	return ret;
124	};
125	};
126
127	}
128	#endif