/* 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_ACIDOBASIC_H #define LIBPOLYXMASS_ACIDOBASIC_H #include "libpolyxmass-globals.h" #include "pxmchem-monomer.h" #include "pxmchem-modif.h" #include "libpolyxmass-prop.h" #ifdef __cplusplus extern "C" { #endif /* __cplusplus */ PxmMonomer * libpolyxmass_acidobasic_render_xml_node_mnm (xmlDocPtr xml_doc, xmlNodePtr xml_node, gpointer data); gboolean libpolyxmass_acidobasic_render_xml_node_monomers (xmlDocPtr xml_doc, xmlNodePtr xml_node, GPtrArray *mnmGPA, gpointer data); PxmModif * libpolyxmass_acidobasic_render_xml_node_mdf (xmlDocPtr xml_doc, xmlNodePtr xml_node, gpointer data); gboolean libpolyxmass_acidobasic_render_xml_node_modifs (xmlDocPtr xml_doc, xmlNodePtr xml_node, GPtrArray *mdfGPA, gpointer data); gboolean libpolyxmass_acidobasic_render_xml_file (gchar *file, GPtrArray *mnmGPA, GPtrArray *mdfGPA, gpointer data); gdouble libpolyxmass_acidobasic_calculate_charge_ratio (gdouble pka, gdouble ph, gboolean acidcharged); #ifdef __cplusplus } #endif /* __cplusplus */ #endif /* LIBPOLYXMASS_ACIDOBASIC_H */