/* GNU polyxmass - the massist's program. -------------------------------------- Copyright (C) 2000,2001,2002,2003,2004 Filippo Rusconi http://www.polyxmass.org This file is part of the "GNU polyxmass" project. The "GNU polyxmass" project is an official GNU project package (see www.gnu.org) released ---in its entirety--- under the GNU General Public License and was started at the Centre National de la Recherche Scientifique (FRANCE), that granted me the formal authorization to publish it under this Free Software License. This software 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; either version 2 of the License, or (at your option) any later version. This software 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. You should have received a copy of the GNU General Public License along with this software; if not, write to the Free Software Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301, USA. */ #ifndef LIBPOLYXMASS_MASSPAIR_H #define LIBPOLYXMASS_MASSPAIR_H #include "libpolyxmass-globals.h" #include "libpolyxmass-prop.h" #include "pxmchem-ionizerule.h" typedef struct _PxmMasspair PxmMasspair; struct _PxmMasspair { gdouble mono; gdouble avg; PxmIonizerule *ionizerule; }; /* NEW'ING FUNCTIONS, DUPLICATING FUNCTIONS ... */ PxmMasspair * libpolyxmass_masspair_new (void); PxmMasspair * libpolyxmass_masspair_dup (PxmMasspair *mp); PxmProp * libpolyxmass_masspair_prop_dup (PxmProp * prop); gboolean libpolyxmass_masspair_set_mono (PxmMasspair *mp, gdouble mono); gboolean libpolyxmass_masspair_set_avg (PxmMasspair *mp, gdouble avg); gboolean libpolyxmass_masspair_set_both (PxmMasspair *mp, gdouble mono, gdouble avg); gdouble libpolyxmass_masspair_get_mono (PxmMasspair *mp); gdouble libpolyxmass_masspair_get_avg (PxmMasspair *mp); /* LOCATING FUNCTIONS */ /* UTILITY FUNCTIONS */ gboolean libpolyxmass_masspair_reset (PxmMasspair *mp); /* FREE'ING FUNCTIONS */ gboolean libpolyxmass_masspair_free (PxmMasspair *mp); gint libpolyxmass_masspair_prop_free (PxmProp *prop); /* GPtrArray-RELATED FUNCTIONS */ gint libpolyxmass_masspair_GPA_empty (GPtrArray *GPA); gint libpolyxmass_masspair_GPA_free (GPtrArray *GPA); #endif