/* * $Id: filenm.h,v 1.27 2005/06/02 12:45:42 spoel Exp $ * * This source code is part of * * G R O M A C S * * GROningen MAchine for Chemical Simulations * * VERSION 3.2.0 * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. * This program 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. * * If you want to redistribute modifications, please consider that * scientific software is very special. Version control is crucial - * bugs must be traceable. We will be happy to consider code for * inclusion in the official distribution, but derived work must not * be called official GROMACS. Details are found in the README & COPYING * files - if they are missing, get the official version at www.gromacs.org. * * To help us fund GROMACS development, we humbly ask that you cite * the papers on the package - you can find them in the top README file. * * For more info, check our website at http://www.gromacs.org * * And Hey: * GRoups of Organic Molecules in ACtion for Science */ #ifdef HAVE_CONFIG_H #include #endif /* this enum should correspond to the array deffile in gmxlib/filenm.c */ enum { efMDP, efGCT, efTRX, efTRN, efTRR, efNH5, efTRJ, efXTC, efG87, efENX, efEDR, efENE, efSTX, efSTO, efGRO, efG96, efPDB, efBRK, efENT, efESP, efPQR, efLOG, efXVG, efOUT, efNDX, efTOP, efITP, efTPX, efTPS, efTPR, efTPA, efTPB, #ifdef HAVE_LIBXML2 efXML, #endif efTEX, efRTP, efATP, efHDB, efDAT, efDLG, efMAP, efEPS, efMAT, efM2P, efMTX, efEDI, efEDO, efPPA, efPDO, efHAT, efXPM, efNR }; typedef struct { int ftp; /* File type (see enum above) */ char *opt; /* Command line option */ char *fn; /* File name (as set in source code) */ unsigned long flag; /* Flag for all kinds of info (see defs)*/ int nfiles; /* number of files */ char **fns; /* File names */ } t_filenm; #define ffSET 1<<0 #define ffREAD 1<<1 #define ffWRITE 1<<2 #define ffOPT 1<<3 #define ffLIB 1<<4 #define ffMULT 1<<5 #define ffRW (ffREAD | ffWRITE) #define ffOPTRD (ffREAD | ffOPT) #define ffOPTWR (ffWRITE| ffOPT) #define ffOPTRW (ffRW | ffOPT) #define ffLIBRD (ffREAD | ffLIB) #define ffLIBOPTRD (ffOPTRD | ffLIB) #define ffRDMULT (ffREAD | ffMULT) #define ffOPTRDMULT (ffRDMULT | ffOPT) #define ffWRMULT (ffWRITE | ffMULT) #define ffOPTWRMULT (ffWRMULT | ffOPT)