/*
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
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+ * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
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*
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*
- * GROningen MAchine for Chemical Simulations
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*
- * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
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-
- * This program is free software; you can redistribute it and/or
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+ * consider code for inclusion in the official distribution, but
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+ * official version at http://www.gromacs.org.
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- *
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+ * the research papers on the package. Check out http://www.gromacs.org.
*/
/*! \internal \file
* \brief
* Implements functions in selparam.h.
*
- * \author Teemu Murtola <teemu.murtola@cbr.su.se>
+ * \author Teemu Murtola <teemu.murtola@gmail.com>
* \ingroup module_selection
*/
+#include "gmxpre.h"
+
#include <algorithm>
#include <string>
-#include "gromacs/legacyheaders/smalloc.h"
-#include "gromacs/legacyheaders/string2.h"
-#include "gromacs/legacyheaders/vec.h"
-
+#include "gromacs/math/vec.h"
#include "gromacs/selection/position.h"
-#include "gromacs/selection/selmethod.h"
-#include "gromacs/selection/selparam.h"
+#include "gromacs/utility/cstringutil.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/messagestringcollector.h"
+#include "gromacs/utility/smalloc.h"
#include "gromacs/utility/stringutil.h"
#include "parsetree.h"
-#include "position.h"
#include "scanner.h"
#include "selelem.h"
+#include "selmethod.h"
+#include "selparam.h"
using gmx::SelectionParserValue;
using gmx::SelectionParserValueList;
{
return (i == 0) ? NULL : ¶m[i-1];
}
- for ( ; i < nparam; ++i)
+ for (; i < nparam; ++i)
{
if (!strcmp(param[i].name, name))
{
static void
place_child(const SelectionTreeElementPointer &root,
const SelectionTreeElementPointer &child,
- gmx_ana_selparam_t *param)
+ gmx_ana_selparam_t *param)
{
gmx_ana_selparam_t *ps;
int n;
/*! \brief
* Comparison function for sorting integer ranges.
- *
+ *
* \param[in] a Pointer to the first range.
* \param[in] b Pointer to the second range.
* \returns -1, 0, or 1 depending on the relative order of \p a and \p b.
/*! \brief
* Parses the values for a parameter that takes integer or real ranges.
- *
+ *
* \param[in] values List of values.
* \param param Parameter to parse.
* \param[in] scanner Scanner data structure.
{
idata[j] = idata[i];
idata[j+1] = idata[i+1];
- j += 2;
+ j += 2;
}
}
}
{
rdata[j] = rdata[i];
rdata[j+1] = rdata[i+1];
- j += 2;
+ j += 2;
}
}
}
/*! \brief
* Parses the values for a parameter that takes a variable number of values.
- *
+ *
* \param[in] values List of values.
* \param param Parameter to parse.
* \param root Selection element to which child expressions are added.
* is stored, each as a separate value.
*/
static bool
-parse_values_varnum(const SelectionParserValueList &values,
- gmx_ana_selparam_t *param,
+parse_values_varnum(const SelectionParserValueList &values,
+ gmx_ana_selparam_t *param,
const SelectionTreeElementPointer &root,
- void *scanner)
+ void *scanner)
{
int i, j;
if (param->val.type == POS_VALUE)
{
gmx_ana_pos_reserve(param->val.u.p, valueCount, 0);
- gmx_ana_pos_set_nr(param->val.u.p, valueCount);
gmx_ana_indexmap_init(¶m->val.u.p->m, NULL, NULL, INDEX_UNKNOWN);
+ gmx_ana_pos_set_nr(param->val.u.p, valueCount);
}
else
{
param->val.u.r[i++] = value->u.r.r1;
break;
case STR_VALUE:
- param->val.u.s[i++] = strdup(value->stringValue().c_str());
+ param->val.u.s[i++] = gmx_strdup(value->stringValue().c_str());
break;
case POS_VALUE: copy_rvec(value->u.x, param->val.u.p->x[i++]); break;
default: /* Should not be reached */
child->setName(param->name);
child->flags &= ~SEL_ALLOCVAL;
child->flags |= SEL_FLAGSSET | SEL_VARNUMVAL | SEL_ALLOCDATA;
- child->v.nr = param->val.nr;
+ child->v.nr = param->val.nr;
_gmx_selvalue_setstore(&child->v, param->val.u.s);
/* Because the child is not group-valued, the u union is not used
* for anything, so we can abuse it by storing the parameter value
child->child = expr;
}
/* Setup the child element */
- child->flags &= ~SEL_ALLOCVAL;
+ child->flags &= ~SEL_ALLOCVAL;
child->u.param = param;
if (child->v.type != param->val.type)
{
// FIXME: Use exceptions.
return SelectionTreeElementPointer();
}
- _gmx_selelem_update_flags(child, scanner);
+ _gmx_selelem_update_flags(child);
if ((child->flags & SEL_DYNAMIC) && !(param->flags & SPAR_DYNAMIC))
{
_gmx_selparser_error(scanner, "dynamic values not supported");
/*! \brief
* Parses an expression value for a parameter that takes a variable number of values.
- *
+ *
* \param[in] values List of values.
* \param param Parameter to parse.
* \param root Selection element to which child expressions are added.
* \returns true if the values were parsed successfully, false otherwise.
*/
static bool
-parse_values_varnum_expr(const SelectionParserValueList &values,
- gmx_ana_selparam_t *param,
+parse_values_varnum_expr(const SelectionParserValueList &values,
+ gmx_ana_selparam_t *param,
const SelectionTreeElementPointer &root,
- void *scanner)
+ void *scanner)
{
GMX_RELEASE_ASSERT(values.size() == 1 && values.front().hasExpressionValue(),
- "Called with an invalid type of value");
+ "Called with an invalid type of value");
SelectionTreeElementPointer child
= add_child(root, param, values.front().expr, scanner);
default: /* Error */
GMX_THROW(gmx::InternalError("Invalid value type"));
}
- sel->v.nr = 1;
+ sel->v.nr = 1;
sel->v.nalloc = -1;
return true;
}
param->flags &= ~SPAR_DYNAMIC;
}
- i = 0;
+ i = 0;
bDynamic = false;
SelectionParserValueList::const_iterator value;
for (value = values.begin(); value != values.end() && i < param->val.nr; ++value)
param->val.u.r[i] = value->u.r.r1;
break;
case STR_VALUE:
- param->val.u.s[i] = strdup(value->stringValue().c_str());
+ param->val.u.s[i] = gmx_strdup(value->stringValue().c_str());
break;
case POS_VALUE:
gmx_ana_pos_init_const(¶m->val.u.p[i], value->u.x);
gmx_ana_selparam_t *param, void *scanner)
{
GMX_ASSERT(param->val.type == NO_VALUE,
- "Boolean parser called for non-boolean parameter");
+ "Boolean parser called for non-boolean parameter");
if (values.size() > 1 || (!values.empty() && values.front().type != INT_VALUE))
{
_gmx_selparser_error(scanner, "parameter takes only a yes/no/on/off/0/1 value");
*/
static bool
parse_values_enum(const SelectionParserValueList &values,
- gmx_ana_selparam_t *param,
- void *scanner)
+ gmx_ana_selparam_t *param,
+ void *scanner)
{
GMX_ASSERT(param->val.type == STR_VALUE,
- "Enum parser called for non-string parameter");
+ "Enum parser called for non-string parameter");
if (values.size() != 1)
{
_gmx_selparser_error(scanner, "a single value is required");
}
const std::string &svalue = value.stringValue();
- int i = 1;
- int match = 0;
+ int i = 1;
+ int match = 0;
while (param->val.u.s[i] != NULL)
{
if (gmx::startsWith(param->val.u.s[i], svalue))
break;
default:
GMX_THROW(gmx::InternalError(
- "Unsupported constant expression value type"));
+ "Unsupported constant expression value type"));
}
}
}
* have been processed, no matter is there was an error or not.
*/
bool
-_gmx_sel_parse_params(const SelectionParserParameterList &pparams,
+_gmx_sel_parse_params(const gmx::SelectionParserParameterList &pparams,
int nparam, gmx_ana_selparam_t *params,
- const SelectionTreeElementPointer &root, void *scanner)
+ const gmx::SelectionTreeElementPointer &root,
+ void *scanner)
{
gmx::MessageStringCollector *errors = _gmx_sel_lexer_error_reporter(scanner);
- gmx_ana_selparam_t *oparam;
- bool bOk, rc;
- int i;
+ gmx_ana_selparam_t *oparam;
+ bool bOk, rc;
+ int i;
/* Check that the value pointers of SPAR_VARNUM parameters are NULL and
* that they are not NULL for other parameters */
bOk = true;
for (i = 0; i < nparam; ++i)
{
- std::string contextStr = gmx::formatString("In parameter '%s'", params[i].name);
+ std::string contextStr = gmx::formatString("In parameter '%s'", params[i].name);
gmx::MessageStringContext context(errors, contextStr);
if (params[i].val.type != POS_VALUE && (params[i].flags & (SPAR_VARNUM | SPAR_ATOMVAL)))
{
if (!pparam->name().empty())
{
contextStr = gmx::formatString("In parameter '%s'", pparam->name().c_str());
- i = -1;
- oparam = gmx_ana_selparam_find(pparam->name().c_str(), nparam, params);
+ i = -1;
+ oparam = gmx_ana_selparam_find(pparam->name().c_str(), nparam, params);
}
else if (i >= 0)
{
contextStr = gmx::formatString("In value %d", i + 1);
- oparam = ¶ms[i];
+ oparam = ¶ms[i];
if (oparam->name != NULL)
{
oparam = NULL;
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff