/* * File: unitio.h * ************************************************************************ * LEAP * * * * Copyright (c) 1992, 1995 * * Regents of the University of California * * All Rights Reserved. * * * * This software provided pursuant to a license agreement containing * * restrictions on its disclosure, duplication, and use. This software * * contains confidential and proprietary information, and may not be * * extracted or distributed, in whole or in part, for any purpose * * whatsoever, without the express written permission of the authors. * * This notice, and the associated author list, must be attached to * * all copies, or extracts, of this software. Any additional * * restrictions set forth in the license agreement also apply to this * * software. * ************************************************************************ * * * Designed by: Christian Schafmeister * * Author: Christian Schafmeister * * * * VERSION: 1.0 * * Programmers: * * Christian Schafmeister * * David Rivkin * * * * Principal Investigator: Peter A. Kollman * * * ************************************************************************ * * Description: * Part of the UNIT object. * All file input/output routines have been * placed in the file 'unitio.c' * */ #ifndef UNITIO_H #define UNITIO_H extern BOOL zbUnitIOLoadTables(UNIT uUnit, DATABASE db); extern void zUnitIOSaveTables(UNIT uUnit, DATABASE db); extern void zUnitIOBuildTables(UNIT uUnit, PARMLIB plParameters, BOOL *bPGeneratedParameters, BOOL bPert, BOOL bCheck); extern void zUnitIOBuildFromTables(UNIT uUnit); extern void zUnitIODestroyTables(UNIT uUnit); extern void zUnitIOSaveAmberParmFormat(UNIT uUnit, FILE *fOut, FILE *fCrd, BOOL bPolar, BOOL bPert); extern void zUnitIOSaveAmberParmFormat_old(UNIT uUnit, FILE *fOut, FILE *fCrd, BOOL bPolar, BOOL bPert); extern void UnitIOSaveAmberPrep( UNIT uUnit, FILE *fOut ); #endif /* UNITIO_H */