prot_prop.hpp
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- /*
- * ===========================================================================
- * PRODUCTION $Log: prot_prop.hpp,v $
- * PRODUCTION Revision 1000.2 2004/06/01 18:04:33 gouriano
- * PRODUCTION PRODUCTION: UPGRADED [GCC34_MSVC7] Dev-tree R1.6
- * PRODUCTION
- * ===========================================================================
- */
- /* $Id: prot_prop.hpp,v 1000.2 2004/06/01 18:04:33 gouriano Exp $
- * ===========================================================================
- *
- * PUBLIC DOMAIN NOTICE
- * National Center for Biotechnology Information
- *
- * This software/database is a "United States Government Work" under the
- * terms of the United States Copyright Act. It was written as part of
- * the author's official duties as a United States Government employee and
- * thus cannot be copyrighted. This software/database is freely available
- * to the public for use. The National Library of Medicine and the U.S.
- * Government have not placed any restriction on its use or reproduction.
- *
- * Although all reasonable efforts have been taken to ensure the accuracy
- * and reliability of the software and data, the NLM and the U.S.
- * Government do not and cannot warrant the performance or results that
- * may be obtained by using this software or data. The NLM and the U.S.
- * Government disclaim all warranties, express or implied, including
- * warranties of performance, merchantability or fitness for any particular
- * purpose.
- *
- * Please cite the author in any work or product based on this material.
- *
- * ===========================================================================
- *
- * Authors: Josh Cherry
- *
- * File Description:
- *
- */
- #ifndef ALGO_SEQUENCE___PROT_PROP__HPP
- #define ALGO_SEQUENCE___PROT_PROP__HPP
- #include <objmgr/seq_vector.hpp>
- #include <math.h>
- BEGIN_NCBI_SCOPE
- BEGIN_SCOPE(objects)
- /// This class defines functions for calculating
- /// properties of amino acid sequences.
- class NCBI_XALGOSEQ_EXPORT CProtProp
- {
- public:
- /// Counts the numbers of occurrences of each residue type.
- static TSeqPos AACount(CSeqVector& v, vector<TSeqPos>& aacount);
- /// Estimates the isoelectric point (pI) of a protein.
- static double GetProteinPI(CSeqVector& v);
- /// Estimates the charge on a protein
- /// at a given pH.
- static double GetProteinCharge(const vector<TSeqPos>& aacount,
- CSeqVector::TResidue nter,
- CSeqVector::TResidue cter,
- double pH);
- private:
- static double exp10(double x) { return pow(double(10), x); }
- };
- END_SCOPE(objects)
- END_NCBI_SCOPE
- #endif // ALGO_SEQUENCE___PROT_PROP__HPP
- /*
- * ===========================================================================
- * $Log: prot_prop.hpp,v $
- * Revision 1000.2 2004/06/01 18:04:33 gouriano
- * PRODUCTION: UPGRADED [GCC34_MSVC7] Dev-tree R1.6
- *
- * Revision 1.6 2004/05/14 01:24:15 jcherry
- * Pass vector by reference
- *
- * Revision 1.5 2003/12/11 17:30:44 ivanov
- * Explicit Using pow(double,double) to avoid compilation problems on MSVC7
- *
- * Revision 1.4 2003/08/04 15:43:20 dicuccio
- * Modified export specifiers to be more flexible
- *
- * Revision 1.3 2003/07/01 19:00:44 ucko
- * Drop gratuitous GUI header inclusion; minor formal cleanups
- *
- * Revision 1.2 2003/07/01 17:31:25 dicuccio
- * Added Win32 export specifiers
- *
- * Revision 1.1 2003/07/01 15:11:24 jcherry
- * Initial versions of nuc_prop and prot_prop
- *
- * ===========================================================================
- */