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Restructure query operators #132

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merged 10 commits into from
Jun 27, 2024
Merged

Restructure query operators #132

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276ddad
change rshift to matmul and change execution order
srmnitc Jun 27, 2024
a126d85
create conditions with variable name instead of query name
srmnitc Jun 27, 2024
dc4d046
test variable name in adding parents
srmnitc Jun 27, 2024
caff749
fix examples
srmnitc Jun 27, 2024
27576fb
add data notebook
srmnitc Jun 27, 2024
3f888da
update generate data file
srmnitc Jun 27, 2024
870c18c
remove prints in term
srmnitc Jun 27, 2024
b244ac7
add query tutorial
srmnitc Jun 27, 2024
86fc607
update tests
srmnitc Jun 27, 2024
6c462b0
fix or in example
srmnitc Jun 27, 2024
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2 changes: 1 addition & 1 deletion atomrdf/network/network.py
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Original file line number Diff line number Diff line change
Expand Up @@ -383,7 +383,7 @@ def create_query(self, source, destinations, enforce_types=True):
#iterate through the list, if they have condition parents, add them explicitely
for destination in destinations:
for parent in destination._condition_parents:
if parent.name not in [d.name for d in destinations]:
if parent.variable_name not in [d.variable_name for d in destinations]:
destinations.append(parent)

#all names are now collected, in a list of lists
Expand Down
1 change: 1 addition & 0 deletions atomrdf/network/ontology.py
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Original file line number Diff line number Diff line change
Expand Up @@ -134,5 +134,6 @@ def read_ontology():
combo.add_path(("asmo:InteratomicPotential", "cmso:hasReference", "string"))
combo.add_path(("asmo:InteratomicPotential", "rdfs:label", "string"))


# return
return combo
15 changes: 10 additions & 5 deletions atomrdf/network/term.py
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Original file line number Diff line number Diff line change
Expand Up @@ -274,14 +274,15 @@ def _is_data_node(self):


def _create_condition_string(self, condition, val):
return f'(?{self.query_name}{condition}"{val}"^^xsd:{self._clean_datatype(self.range[0])})'
return f'(?{self.variable_name}{condition}"{val}"^^xsd:{self._clean_datatype(self.range[0])})'

# overloading operators
def __eq__(self, val):
"""
=
"""
# self._is_number(val)
#print("eq")
#print(f'lhs {self} rhs {val}')
self._is_data_node()
item = copy.deepcopy(self)
item._condition = item._create_condition_string("=", val)
Expand Down Expand Up @@ -316,6 +317,8 @@ def __ge__(self, val):
return item

def __gt__(self, val):
#print("gt")
#print(f'lhs {self} rhs {val}')
self._is_number(val)
self._is_data_node()
item = copy.deepcopy(self)
Expand Down Expand Up @@ -358,9 +361,11 @@ def __or__(self, term):
def or_(self, term):
self.__or__(term)

def __rshift__(self, term):
item = copy.deepcopy(term)
item._parents.append(copy.deepcopy(self))
def __matmul__(self, term):
#print("matmul")
#print(f'lhs {self} rhs {term}')
item = copy.deepcopy(self)
item._parents.append(copy.deepcopy(term))
return item

def refresh_condition(self):
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2 changes: 1 addition & 1 deletion examples/01_getting_started.ipynb
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Expand Up @@ -3589,7 +3589,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.11.8"
"version": "3.1.-1"
}
},
"nbformat": 4,
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2 changes: 1 addition & 1 deletion examples/02_grain_boundaries.ipynb
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Expand Up @@ -1617,7 +1617,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.11.8"
"version": "3.1.-1"
}
},
"nbformat": 4,
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2 changes: 1 addition & 1 deletion examples/03_point_defects.ipynb
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Original file line number Diff line number Diff line change
Expand Up @@ -5214,7 +5214,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.11.8"
"version": "3.1.-1"
}
},
"nbformat": 4,
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2 changes: 1 addition & 1 deletion examples/05_interstitials.ipynb
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Original file line number Diff line number Diff line change
Expand Up @@ -2517,7 +2517,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.11.8"
"version": "3.1.-1"
}
},
"nbformat": 4,
Expand Down
2 changes: 1 addition & 1 deletion examples/07_dislocation.ipynb
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Expand Up @@ -2733,7 +2733,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.11.8"
"version": "3.1.-1"
}
},
"nbformat": 4,
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2 changes: 1 addition & 1 deletion examples/09_structure_modification.ipynb
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Original file line number Diff line number Diff line change
Expand Up @@ -8482,7 +8482,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.11.8"
"version": "3.1.-1"
}
},
"nbformat": 4,
Expand Down
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