bemparm.c

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#include "bemparm.h"
 
VEMBED(rcsid="$Id$")
 
#if !defined(VINLINE_MGPARM)
 
#endif /* if !defined(VINLINE_MGPARM) */
 
 
VPUBLIC BEMparm* BEMparm_ctor(BEMparm_CalcType type) {
 
    /* Set up the structure */
    BEMparm *thee = VNULL;
    thee = (BEMparm*)Vmem_malloc(VNULL, 1, sizeof(BEMparm));
    VASSERT( thee != VNULL);
    VASSERT( BEMparm_ctor2(thee, type) == VRC_SUCCESS );
 
    return thee;
}
 
VPUBLIC Vrc_Codes BEMparm_ctor2(BEMparm *thee, BEMparm_CalcType type) {
 
    int i;
 
    if (thee == VNULL) return VRC_FAILURE;
 
    thee->parsed = 0;
    thee->type = type;
 
    /* *** GENERIC PARAMETERS *** */
 
    /* *** TYPE 0 PARAMETERS *** */
    thee->tree_order = 1;
    thee->settree_order = 0;
    thee->tree_n0 = 500;
    thee->settree_n0 = 0;
    thee->mac = 0.8;
    thee->setmac = 0;
 
    thee->mesh = 0;
    thee->setmesh = 0;
 
    thee->outdata = 0;
    thee->setoutdata = 0;
 
    /* *** TYPE 1 & 2 PARAMETERS *** */
 
    /* *** TYPE 2 PARAMETERS *** */
    thee->nonlintype = 0;
    thee->setnonlintype = 0;
 
    /* *** Default parameters for TINKER *** */
    thee->chgs = VCM_CHARGE;
 
    return VRC_SUCCESS;
}
 
VPUBLIC void BEMparm_dtor(BEMparm **thee) {
    if ((*thee) != VNULL) {
        BEMparm_dtor2(*thee);
        Vmem_free(VNULL, 1, sizeof(BEMparm), (void **)thee);
        (*thee) = VNULL;
    }
}
 
VPUBLIC void BEMparm_dtor2(BEMparm *thee) { ; }
 
VPUBLIC Vrc_Codes BEMparm_check(BEMparm *thee) {
 
    Vrc_Codes rc;
    int i, tdime[3], ti, tnlev[3], nlev;
 
    rc = VRC_SUCCESS;
 
    Vnm_print(0, "BEMparm_check:  checking BEMparm object of type %d.\n",
              thee->type);
 
    /* Check to see if we were even filled... */
    if (!thee->parsed) {
        Vnm_print(2, "BEMparm_check:  not filled!\n");
        return VRC_FAILURE;
    }
 
 
    /* Check type settings */
    if ((thee->type != BCT_MANUAL) && (thee->type != BCT_NONE)) {
         Vnm_print(2,"BEMparm_check: type not set");
         rc = VRC_FAILURE;
    }
 
    /* Check treecode setting*/
    if (thee->tree_order < 1) {
        Vnm_print(2, "BEMparm_check: treecode order is less than 1");
        rc = VRC_FAILURE;
    }
    if (thee->tree_n0 < 1) {
        Vnm_print(2, "BEMparm_check: treecode leaf size is less than 1");
        rc = VRC_FAILURE;
    }
    if (thee->mac > 1 || thee->mac <= 0) {
        Vnm_print(2, "BEMparm_check: MAC criterion fails");
        rc = VRC_FAILURE;
    }
 
    if (thee->mesh > 2 || thee->mesh < 0) {
        Vnm_print(2, "BEMparm_check: mesh must be 0 (msms) or 1 and 2 (NanoShaper)");
        rc = VRC_FAILURE;
    }
 
    if (thee->outdata > 2 || thee->outdata < 0) {
        Vnm_print(2, "BEMparm_check: outdata must be 0, 1 (vtk), or 2 (not specified)");
        rc = VRC_FAILURE;
    }
 
    return rc;
}
 
VPUBLIC void BEMparm_copy(BEMparm *thee, BEMparm *parm) {
 
    int i;
 
    VASSERT(thee != VNULL);
    VASSERT(parm != VNULL);
 
 
    thee->type = parm->type;
    thee->parsed = parm->parsed;
 
    /* *** GENERIC PARAMETERS *** */
 
    /* *** TYPE 0 PARMS *** */
 
    thee->tree_order = parm->tree_order;
    thee->settree_order = parm->settree_order;
    thee->tree_n0 = parm->tree_n0;
    thee->settree_n0 = parm->settree_n0;
    thee->mac = parm->mac;
    thee->setmac = parm->setmac;
 
    thee->mesh = parm->mesh;
    thee->setmesh = parm->setmesh;
 
    thee->outdata = parm->outdata;
    thee->setoutdata = parm->setoutdata;
 
    /* *** TYPE 1 & 2 PARMS *** */
 
    /* *** TYPE 2 PARMS *** */
    thee->nonlintype = parm->nonlintype;
    thee->setnonlintype = parm->setnonlintype;
}
 
 
VPRIVATE Vrc_Codes BEMparm_parseTREE_ORDER(BEMparm *thee, Vio *sock) {
 
    char tok[VMAX_BUFSIZE];
    int ti;
 
    VJMPERR1(Vio_scanf(sock, "%s", tok) == 1);
    if (sscanf(tok, "%d", &ti) == 0) {
        Vnm_print(2, "NOsh:  Read non-integer (%s) while parsing TREE_ORDER \
keyword!\n", tok);
        return VRC_WARNING;
    } else if (ti <= 0) {
        Vnm_print(2, "parseBEM:  tree_order must be greater than 0!\n");
        return VRC_WARNING;
    } else thee->tree_order = ti;
    thee->settree_order = 1;
    return VRC_SUCCESS;
 
    VERROR1:
        Vnm_print(2, "parseBEM:  ran out of tokens!\n");
        return VRC_WARNING;
}
 
 
VPRIVATE Vrc_Codes BEMparm_parseTREE_N0(BEMparm *thee, Vio *sock) {
 
    char tok[VMAX_BUFSIZE];
    int ti;
 
    VJMPERR1(Vio_scanf(sock, "%s", tok) == 1);
    if (sscanf(tok, "%d", &ti) == 0) {
        Vnm_print(2, "NOsh:  Read non-integer (%s) while parsing TREE_N0 \
keyword!\n", tok);
        return VRC_WARNING;
    } else if (ti <= 0) {
        Vnm_print(2, "parseBEM:  tree_n0 must be greater than 0!\n");
        return VRC_WARNING;
    } else thee->tree_n0 = ti;
    thee->settree_n0 = 1;
    return VRC_SUCCESS;
 
    VERROR1:
        Vnm_print(2, "parseBEM:  ran out of tokens!\n");
        return VRC_WARNING;
}
 
 
VPRIVATE Vrc_Codes BEMparm_parseMAC(BEMparm *thee, Vio *sock) {
 
    char tok[VMAX_BUFSIZE];
    double tf;
 
    VJMPERR1(Vio_scanf(sock, "%s", tok) == 1);
    if (sscanf(tok, "%lf", &tf) == 0) {
        Vnm_print(2, "NOsh:  Read non-float (%s) while parsing mac \
keyword!\n", tok);
        return VRC_WARNING;
    } else if (tf <= 0.0 || tf > 1.0) {
        Vnm_print(2, "parseBEM:  mac must be between 0 and 1!\n");
        return VRC_WARNING;
    } else thee->mac = tf;
    thee->setmac = 1;
    return VRC_SUCCESS;
 
    VERROR1:
        Vnm_print(2, "parseBEM:  ran out of tokens!\n");
        return VRC_WARNING;
}
 
 
VPRIVATE Vrc_Codes BEMparm_parseMESH(BEMparm *thee, Vio *sock) {
 
    char tok[VMAX_BUFSIZE];
 
    VJMPERR1(Vio_scanf(sock, "%s", tok) == 1);
    if(strcmp(tok, "msms") == 0){
      thee->mesh = 0;
    }
    else if(strcmp(tok, "ses") == 0){
      thee->mesh = 1;
    }
    else if(strcmp(tok, "skin") == 0){
      thee->mesh = 2;
    }
    else{
      Vnm_print(2, "parseBEM: mesh option %s is not recognized! It must be one of msms, \
                    ses, or skin.\n", tok);
      return VRC_WARNING;
    }
 
    thee->setmesh = 1;
    return VRC_SUCCESS;
 
    VERROR1:
        Vnm_print(2, "parseBEM:  ran out of tokens!\n");
        return VRC_WARNING;
}
 
 
VPRIVATE Vrc_Codes BEMparm_parseOUTDATA(BEMparm *thee, Vio *sock) {
 
    char tok[VMAX_BUFSIZE];
    int ti;
 
    VJMPERR1(Vio_scanf(sock, "%s", tok) == 1);
    if (sscanf(tok, "%d", &ti) == 0) {
        Vnm_print(2, "NOsh:  Read non-integer (%s) while parsing OUTDATA \
                      keyword!\n", tok);
        return VRC_WARNING;
    } else if (ti < 0 || ti > 2) {
        Vnm_print(2, "parseBEM:  outdata must be 0, 1 (vtk), \
                      or 2 (unspecified)!\n");
        return VRC_WARNING;
    } else thee->outdata = ti;
    thee->setoutdata = 1;
    return VRC_SUCCESS;
 
    VERROR1:
        Vnm_print(2, "parseBEM:  ran out of tokens!\n");
        return VRC_WARNING;
}
 
 
VPUBLIC Vrc_Codes BEMparm_parseToken(BEMparm *thee, char tok[VMAX_BUFSIZE],
  Vio *sock) {
 
    if (thee == VNULL) {
        Vnm_print(2, "parseBEM:  got NULL thee!\n");
        return VRC_WARNING;
    }
    if (sock == VNULL) {
        Vnm_print(2, "parseBEM:  got NULL socket!\n");
        return VRC_WARNING;
    }
 
    Vnm_print(0, "BEMparm_parseToken:  trying %s...\n", tok);
 
 
    if (Vstring_strcasecmp(tok, "tree_order") == 0) {
        return BEMparm_parseTREE_ORDER(thee, sock);
    } else if (Vstring_strcasecmp(tok, "tree_n0") == 0) {
        return BEMparm_parseTREE_N0(thee, sock);
    } else if (Vstring_strcasecmp(tok, "mac") == 0) {
        return BEMparm_parseMAC(thee, sock);
    } else if (Vstring_strcasecmp(tok, "mesh") == 0) {
        return BEMparm_parseMESH(thee, sock);
    } else if (Vstring_strcasecmp(tok, "outdata") == 0) {
        return BEMparm_parseOUTDATA(thee, sock);
    } else {
        Vnm_print(2, "parseBEM:  Unrecognized keyword (%s)!\n", tok);
        return VRC_WARNING;
    }
 
    return VRC_FAILURE;
 
}