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GNU General Public License for more details. |
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***********************************************************************/ |
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< |
#include "amberformat.hpp" |
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#include "mol.hpp" |
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#include "obconversion.hpp" |
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#include "obmolecformat.hpp" |
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using namespace std; |
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namespace OpenBabel |
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{ |
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class AmberPrepFormat : public OBMoleculeFormat |
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{ |
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public: |
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//Register this format type ID |
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AmberPrepFormat() |
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{ |
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OBConversion::RegisterFormat("prep",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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"Amber Prep format\n \ |
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Read Options e.g. -as\n\ |
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s Output single bonds only\n\ |
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b Disable bonding entirely\n\n"; |
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}; |
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virtual const char* SpecificationURL() |
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{return "http://amber.scripps.edu/doc/prep.html";}; |
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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 NOTWRITABLE; |
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}; |
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//////////////////////////////////////////////////// |
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/// The "API" interface functions |
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virtual bool ReadMolecule(OBBase* pOb, OBConversion* pConv); |
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}; |
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//Make an instance of the format class |
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AmberPrepFormat theAmberPrepFormat; |
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///////////////////////////////////////////////////////////////// |
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bool AmberPrepFormat::ReadMolecule(OBBase* pOb, OBConversion* pConv) |
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{ |
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