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some further work

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This commit is contained in:
Daniel Knüttel 2019-07-12 13:51:43 +02:00
parent 9220314b68
commit 757efb2e5b
1 changed files with 66 additions and 39 deletions
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105
c/interaction/interaction.c
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@ -134,7 +134,7 @@ static PyTypeObject interaction_UFuncWrapperType
{
PyTypeObject_HEAD_INIT(NULL, 0)
.tp_name = "brown.interaction.UFuncWrapper",
.tp_doc = "A wrapper that wraps the ufuncs for interaction and force, storing the coeficients",
.tp_doc = "A wrapper that wraps the ufuncs for interaction and force, storing the coefficients",
.tp_basicsize = sizeof(interaction_UFuncWrapper),
.tp_itemsize = 0,
.tp_flags = Py_TPFLAGS_DEFAULT,
@ -142,6 +142,12 @@ static PyTypeObject interaction_UFuncWrapperType
};
static char interaction_types[] =
{ NPY_FLOAT, NPY_FLOAT, NPY_FLOAT, NPY_FLOAT, NPY_FLOAT, NPY_FLOAT};
static char force_types[] =
{ NPY_FLOAT, NPY_FLOAT};
static int
interaction_UFuncWrapper_init
( interaction_UFuncWrapper * self
@ -152,6 +158,8 @@ interaction_UFuncWrapper_init
// 1: interaction2D
char type;
PyObject * coefficients;
int i;
PyObject * this_coefficient;
if(!PyArgs_ParseTupleAndKeywords(args, kwds, "BO!", &type, &PyList_Type, &coefficients))
{
@ -164,35 +172,76 @@ interaction_UFuncWrapper_init
return -1;
}
// copy the coefficients.
for(i = 0; i < 19; i++)
{
this_coefficient = PyList_GetItem(coefficients, i);
// XXX: PyFloat_AsDouble might call python code,
// so make sure that nothing bad can happen.
Py_INCREF(this_coefficient);
self->coefficients[i] = PyFloat_AsDouble(this_coefficient);
Py_DECREF(this_coefficient);
if(PyErr_Occurred())
{
return -1;
}
}
switch(type)
{
case 0:
{
self->ufunc = PyUFunc_FromFuncAndData(
force_funcs
, self->coefficients
, force_types
, 1
, 2
, 1
, PyUFunc_None
, "force_function"
, "computes the scalar force between two particles with given coefficients"
, 0);
break;
}
case 1:
{
self->ufunc = PyUFunc_FromFuncAndData(
interaction_funcs
, interaction_data
, interaction_types
, 1
, 5
, 2
, PyUFunc_None
, "interaction2D"
, "Update the momenta according to the given coefficients and positions"
, 0);
break;
}
default:
{
PyErr_SetString(PyExc_ValueError, "unknown ufunc type, must be 0 or 1");
return -1
}
}
}
static PyObject *
interaction_UFuncWrapper_call
(interaction_UFuncWrapper * self,
PyObject * data)
(interaction_UFuncWrapper * self
, PyObject * args
, PyObject * kwargs)
{
return
return PyObject_Call(self->ufunc, args, kwargs);
}
static PyMethodDef InteractionMethods[] = {
{NULL, NULL, 0, NULL}
};
// FIXME
PyUFuncGenericFunction interaction_funcs[] =
{ &interaction_ufunc_float2D};
PyUFuncGenericFunction force_funcs[] =
{ &interaction_ufunc_force};
static char interaction_types[] =
{ NPY_FLOAT, NPY_FLOAT, NPY_FLOAT, NPY_FLOAT, NPY_FLOAT, NPY_FLOAT, NPY_FLOAT};
static char force_types[] =
{ NPY_FLOAT, NPY_FLOAT, NPY_FLOAT};
static void *interaction_data[] = {NULL};
static void *force_data[] = {NULL};
static struct PyModuleDef moduledef = {
PyModuleDef_HEAD_INIT
@ -223,29 +272,7 @@ PyInit_interaction(void)
import_ufunc();
ufunc_interaction = PyUFunc_FromFuncAndDataAndSignature(
interaction_funcs
, interaction_data
, interaction_types
, 1
, 5
, 2
, PyUFunc_None
, "interaction2D"
, "Update the momenta according to the given coefficients and positions"
, 0
, "(n),(n),(n),(n),(19)->(n),(n)");
ufunc_force = PyUFunc_FromFuncAndDataAndSignature(
force_funcs
, force_data
, force_types
, 1
, 2
, 1
, PyUFunc_None
, "force_function"
, "computes the scalar force between two particles with given coefficients"
, 0
, "(n),(19)->(n)");
dct = PyModule_GetDict(module);
PyDict_SetItemString(dct, "interaction2D", ufunc_interaction);