steric_1.11
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Makefile,
Makefile.sgi,
README.steric,
contplot,
craig.c,
craig.h,
crystal.c,
crystal.h,
integrat.c,
integrat.h,
leach.c,
leach.h,
long_steric,
makeit,
mapcont,
mapcont.c,
mapprof,
mapprof.c,
profplot,
proja.c,
proja.h,
ryan.c,
ryan.h,
ryan_perm.c,
ryan_perm.h,
ryan_quad.c,
ryan_quad.h,
steraid.c,
steraid.h,
stercalc.c,
stercalc.h,
stercomm.c,
stercomm.h,
sterdefn.h,
stererr.h,
sterfile.c,
sterfile.h,
stergrap.c,
stergrap.h,
stergrp.c,
stergrp.h,
steric,
steric.TeX,
steric.err,
steric.grp,
steric.hlp,
steric.ini,
steric.par,
stermain.c,
stermem.c,
stermem.h,
sterover.c,
sterover.h,
sterplot,
stertext.c,
stertext.h,
test.bgf,
test.inp,
vectors.c,
vectors.h,
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/**************************************************************************/
/****************** STERIC error call declarations **********************/
/**************************************************************************/
#define E_BLANK 0 /* no error message */
#define E_NOPARM 1 /* no parameter file found */
#define E_FORCED 2 /* forced exit (like control-break) */
#define E_NOMEM 3 /* no more memory available from heap */
#define E_FTYPE 4 /* unknown filetype */
#define E_LOAD 5 /* unable to load data file */
#define E_NOATOM 6 /* no atoms found in file */
#define E_NOBOND 7 /* no bonds found in file */
#define E_NOTITL 8 /* no title found in file */
#define E_BDATOM 9 /* bad atom line in file */
#define E_IMBOND 10 /* impossible bond */
#define E_ATMNUM 11 /* atomic count mismatch */
#define E_BDFILE 12 /* incorrect formatting in file */
#define E_NOHELP 13 /* no help file found */
#define E_BDBASE 15 /* bad basis vectors */
#define E_BDPROJ 16 /* bad z projection */
#define E_NOCOMM 17 /* no commands set up */
#define E_BDCOMM 18 /* bad structure in commands setup */
#define E_NOTAVL 19 /* Option not yet available */
#define E_BDHGQ 20 /* HGQ was greater than PI */
#define E_STOBIG 21 /* Solid angle to big (>4*PI) */
#define E_STOSML 22 /* Solid angle to small (<0.0) */
#define E_MTOBIG 23 /* maximum profile value > total steric value */
#define E_MTOSML 24 /* maximum profile value < total steric value */
#define E_MTBOLD 25 /* E_MTOBIG ellaborated for old leach alg. */
#define E_OPCONF 26 /* Attempt to open conformer file as molecule */
#define E_NOTCNF 27 /* File opened was not a conformer file */
#define E_CONFOP 28 /* Unable to open conformer file */
#define E_CONFAT 29 /* Wrong number of atoms in conformation file */
#define E_UNKNOW 30 /* Unrecognised name or number (atom or mol.) */
#define E_SVTOBG 31 /* SV angle >= PI calculated */
#define E_BDPARM 32 /* Parameter table gone missing ??? */
#define E_BDBOND 33 /* Bad bond found in bonding table */
#define E_OPNOUT 34 /* Unable to open output file */
#define E_SQRTNG 35 /* Attempt to take square root of negative */
#define E_NEGSLD 36 /* Negative solid from integration */
#define E_PNOTPI 37 /* Total phi range for integration not = PI */
#define E_BAD_G 38 /* miscalculation of G for multiple overlap */
#define E_UNSING 39 /* unexpected single solid (total overlap) */
#define E_LEVHI 40 /* recursive level too hi, should never occur */
#define E_BADORD 41 /* wrong order of overlap passed to recursive */
#define E_BADFRK 42 /* fork() was unsucessfull */
#define E_NOGRPS 43 /* molecule has no defined groups */
#define E_NOGRPF 44 /* group definition file steric.grp missing */
#define E_UNKGRP 45 /* unrecognised group */
#define E_NOCELL 46 /* no CELL line in fractional coord file */
#define E_BADCEL 47 /* error reading in cell line */
#define E_NOMOL 48 /* no molecule data */
#define E_LDGRP 49 /* error loading group from group file */
#define E_TOMGRP 50 /* more than one group definition matches */
#define E_NOFGRP 51 /* error finding required group */
#define E_ENDFRC 52 /* fractional coordinates ended */
#define E_NOOVER 53 /* no overlap found in subroutine expecting it */
#define E_NEGARE 54 /* negative area from calculation */
#define E_GNOTPI 55 /* Total gamma range for area calc not 2PI */
#define E_ATOSML 56 /* projected area too small (<0.0) */
#define E_OUTRNG 57 /* value out of range */
#define E_EXRANG 58 /* exceeded array size */
#define E_BDCIRC 59 /* circle badly defined */
#define E_BDMINT 60 /* intersept vector memory badly defined */
/**************************************************************************/
/**************************************************************************/
/**************************************************************************/
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