def calculate(cls, data_handler, matrix_params):
"""
:param parameters: a ProtocolParameters object with at least one "matrices"
and "combination" attributes.
Inside the "matrices" object any type of "matrix" object can be defined. The
attribute id would be its id in the "combination" clause.
Ex:
"matrix":{
"method":"matrix::combination",
"parameters":{
"matrices":{
"loaded_matrix":{
"method": "matrix::load",
"parameters": {
...
}
},
"rmsd_matrix":{
"method": "rmsd:ensemble",
"parameters": {
"calculator_type": "QCP_OMP_CALCULATOR",
"fit_selection": "chain A",
...
}
}
},
"combination": ["add",[]]
}
}
@return: The created matrix.
"""
forbidden = ["add", "sub", "mult"]
matrices_descr = matrix_params.get_value("matrices", default_value={})
matrices = {}
operations = matrix_params.get_value("combination", default_value="")
number_of_matrix_ids = len(matrices_descr.keys())
if number_of_matrix_ids == 0:
#raise
pass
else:
#check that there are no forbidden ids
for matrix_id in matrices_descr:
if matrix_id in forbidden:
raise KeyError("Forbidden matrix id.")
# Load the matrices
for matrix_id in matrices_descr:
print "Calculating %s" % (matrix_id)
matrices[matrix_id] = MatrixCalculator.calculate(
data_handler, matrices_descr[matrix_id])
# Do the combination
return combine(operations, matrices)
def calculate(cls, data_handler, matrix_params):
"""
:param parameters: a ProtocolParameters object with at least one "matrices"
and "combination" attributes.
Inside the "matrices" object any type of "matrix" object can be defined. The
attribute id would be its id in the "combination" clause.
Ex:
"matrix":{
"method":"matrix::combination",
"parameters":{
"matrices":{
"loaded_matrix":{
"method": "matrix::load",
"parameters": {
...
}
},
"rmsd_matrix":{
"method": "rmsd:ensemble",
"parameters": {
"calculator_type": "QCP_OMP_CALCULATOR",
"fit_selection": "chain A",
...
}
}
},
"combination": ["add",[]]
}
}
@return: The created matrix.
"""
forbidden = ["add","sub","mult"]
matrices_descr = matrix_params.get_value("matrices", default_value={})
matrices = {}
operations = matrix_params.get_value("combination", default_value="")
number_of_matrix_ids = len(matrices_descr.keys())
if number_of_matrix_ids == 0:
#raise
pass
else:
#check that there are no forbidden ids
for matrix_id in matrices_descr:
if matrix_id in forbidden:
raise KeyError("Forbidden matrix id.")
# Load the matrices
for matrix_id in matrices_descr:
print "Calculating %s"%(matrix_id)
matrices[matrix_id] = MatrixCalculator.calculate(data_handler,
matrices_descr[matrix_id])
# Do the combination
return combine(operations, matrices)
def calc_matrix(cls, data_handler, matrix_parameters):
return MatrixCalculator.calculate(data_handler, matrix_parameters)