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add species_units keyword to draw_reactor

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This allows to display reactors' species as either percent or ppm
This commit is contained in:
Niclas Garan 2023-10-20 00:27:15 +02:00 committed by Ray Speth
parent a1e0acd8fa
commit 96c21a2b6f
3 changed files with 59 additions and 44 deletions
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71
interfaces/cython/cantera/drawnetwork.py
View File

@ -65,7 +65,7 @@ def _clear_reactor_names(func):
@_clear_reactor_names
def draw_reactor(r, dot=None, *, print_state=False, species=None,
def draw_reactor(r, dot=None, *, print_state=False, species=None, species_units="percent",
graph_attr=None, node_attr=None):
"""
Draw `ReactorBase` object as ``graphviz`` ``dot`` node.
@ -85,6 +85,9 @@ def draw_reactor(r, dot=None, *, print_state=False, species=None,
Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all
species, respectively, or an iterable that contains the desired species
names as strings. Defaults to ``None``.
:param species_units:
Defines the units the species are displayed in as either `"percent"` or
`"ppm"`. Defaults to `"percent"`.
:param graph_attr:
Attributes to be passed to the ``graphviz.Digraph`` function that
control the general appearance of the drawn network.
@ -104,7 +107,8 @@ def draw_reactor(r, dot=None, *, print_state=False, species=None,
@_needs_graphviz
def _draw_reactor(r, dot=None, print_state=False, species=None, **kwargs):
def _draw_reactor(r, dot=None, print_state=False, species=None, species_units="percent",
**kwargs):
if not dot:
dot = _graphviz.Digraph(name=r.name,
graph_attr=kwargs.get("graph_attr"))
@ -116,22 +120,32 @@ def _draw_reactor(r, dot=None, print_state=False, species=None, **kwargs):
if print_state:
T_label = f"T (K)\\n{r.T:.2f}"
P_label = f"P (bar)\\n{r.thermo.P*1e-5:.3f}"
s_label = ""
if species == "X":
X = r.thermo.mole_fraction_dict(1e-4)
s_percents = "\\n".join([f"{s}: {v*100:.2f}" for s, v in X.items()])
s_label += "X (%)\\n" + s_percents
if species == True or species == "X":
s_dict = r.thermo.mole_fraction_dict(1e-4)
species_list = s_dict.keys()
s_label = "X"
elif species == "Y":
Y = r.thermo.mass_fraction_dict(1e-4)
s_percents = "\\n".join([f"{s}: {v*100:.2f}" for s, v in Y.items()])
s_label += "Y (%)\\n" + s_percents
s_dict = r.thermo.mass_fraction_dict(1e-4)
species_list = s_dict.keys()
s_label = "Y"
# If individual species are provided as iterable of strings
elif species:
s_dict = r.thermo.mole_fraction_dict(threshold=-1)
species_list = species
s_label = "X"
else:
# If individual species are provided as iterable of strings
if species:
X = r.thermo.mole_fraction_dict(threshold=-1)
s_percents = "\\n".join([f"{s}: {X[s]*100:.2f}" for s in species])
s_label += "X (%)\\n" + s_percents
s_dict = {}
species_list = []
s_label = ""
s_percents = "\\n".join([f"{s}: {s_dict[s]*100:.2f}" for s in species_list])
s_ppm = "\\n".join([f"{s}: {s_dict[s]*1e6:.1f}" for s in species_list])
if s_label:
if species_units == "percent":
s_label += " (%)\\n" + s_percents
else:
s_label += " (ppm)\\n" + s_ppm
# For full state output, shape must be 'Mrecord'
node_attr.pop("shape", None)
@ -148,9 +162,9 @@ def _draw_reactor(r, dot=None, print_state=False, species=None, **kwargs):
@_clear_reactor_names
@_needs_graphviz
def draw_reactor_net(n, *, print_state=False, species=None, graph_attr=None,
def draw_reactor_net(n, *, print_state=False, graph_attr=None,
node_attr=None, edge_attr=None, heat_flow_attr=None,
mass_flow_attr=None):
mass_flow_attr=None, **kwargs):
"""
Draw `ReactorNet` object as ``graphviz.graphs.DiGraph``. Connecting flow
controllers and walls are depicted as arrows.
@ -158,13 +172,9 @@ def draw_reactor_net(n, *, print_state=False, species=None, graph_attr=None,
:param n:
`ReactorNet` object
:param print_state:
Whether state information of the reactors is printed into each node.
Defaults to ``False``.
:param species:
If ``print_state`` is ``True``, define how species are to be printed.
Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all
species, respectively, or an iterable that contains the desired species
names as strings. Defaults to ``None``.
Whether state information of each reactor is printed into the
respective node. See `draw_reactor` for additional keywords to
control this output. Defaults to ``False``.
:param graph_attr:
Attributes to be passed to the ``graphviz.Digraph`` function that
control the general appearance of the drawn network.
@ -187,6 +197,9 @@ def draw_reactor_net(n, *, print_state=False, species=None, graph_attr=None,
:param mass_flow_attr:
Same as `edge_attr` but only applied to edges representing
`FlowDevice` objects.
:param kwargs:
Additional keywords are passed on to each call of `draw_reactor`,
`draw_surface` and `draw_connections`.
:return:
``graphviz.graphs.BaseGraph`` object with reactor net.
@ -267,7 +280,7 @@ def _get_connected_reactors(connections):
@_clear_reactor_names
def draw_surface(surface, dot=None, *, print_state=False, species=None,
graph_attr=None, node_attr=None, edge_attr=None):
graph_attr=None, node_attr=None, edge_attr=None, **kwargs):
"""
Draw `ReactorSurface` object with its connected reactor.
@ -278,12 +291,8 @@ def draw_surface(surface, dot=None, *, print_state=False, species=None,
If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
:param print_state:
Whether state information of the reactor is printed into the node.
See `draw_reactor` for additional keywords to control this output.
Defaults to ``False``.
:param species:
If ``print_state`` is ``True``, define how species are to be printed.
Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all
species, respectively, or an iterable that contains the desired species
names as strings. Defaults to ``None``.
:param graph_attr:
Attributes to be passed to the ``graphviz.Digraph`` function that
control the general appearance of the drawn network.
@ -301,6 +310,8 @@ def draw_surface(surface, dot=None, *, print_state=False, species=None,
(subclasses of `FlowDevice` or walls) themselve have priority.
See https://graphviz.org/docs/edges/ for a list of all usable
attributes.
:param kwargs:
Additional keywords are passed on to `draw_reactor`.
:return:
A ``graphviz.graphs.BaseGraph`` object depicting the surface and its
reactor.

27
interfaces/cython/cantera/reactor.pyx
View File

@ -160,8 +160,8 @@ cdef class ReactorBase:
"""
self._walls.append(wall)
def draw(self, dot=None, *, print_state=False, species=None, graph_attr=None,
node_attr=None):
def draw(self, dot=None, *, print_state=False, species=None,
species_units="percent", graph_attr=None, node_attr=None):
"""
Draw as ``graphviz`` ``dot`` node.
The node is added to an existing ``dot`` graph if provided.
@ -178,6 +178,9 @@ cdef class ReactorBase:
Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all
species, respectively, or an iterable that contains the desired species
names as strings. Defaults to ``None``.
:param species_units:
Defines the units the species are displayed in as either `"percent"` or
`"ppm"`. Defaults to `"percent"`.
:param graph_attr:
Attributes to be passed to the ``graphviz.Digraph`` function that
control the general appearance of the drawn network.
@ -890,7 +893,7 @@ cdef class ReactorSurface:
return self._reactor
def draw(self, dot=None, *, print_state=False, species=None,
graph_attr=None, node_attr=None, edge_attr=None):
graph_attr=None, node_attr=None, edge_attr=None, **kwargs):
"""
Draw the surface as a ``graphviz`` ``dot`` node connected to its
reactor.
@ -903,11 +906,6 @@ cdef class ReactorSurface:
:param print_state:
Whether state information of the reactor is printed into its node.
Defaults to ``False``
:param species:
If ``print_state`` is ``True``, define how species are to be printed.
Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all
species, respectively, or an iterable that contains the desired species
names as strings. Defaults to ``None``
:param graph_attr:
Attributes to be passed to the ``graphviz.Digraph`` function that
control the general appearance of the drawn network.
@ -925,6 +923,9 @@ cdef class ReactorSurface:
(subclasses of `FlowDevice` or walls) themselve have priority.
See https://graphviz.org/docs/edges/ for a list of all usable
attributes.
:param kwargs:
Additional keywords are passed on to each call of `draw_reactor`,
`draw_surface` and `draw_connections`.
:return:
``graphviz.graphs.BaseGraph`` object with surface and connected
reactor.
@ -2025,7 +2026,7 @@ cdef class ReactorNet:
def draw(self, *, print_state=False, species=None, graph_attr=None,
node_attr=None, edge_attr=None, heat_flow_attr=None,
mass_flow_attr=None):
mass_flow_attr=None, **kwargs):
"""
Draw as ``graphviz.graphs.DiGraph``. Connecting flow controllers and
walls are depicted as arrows.
@ -2033,11 +2034,6 @@ cdef class ReactorNet:
:param print_state:
Whether state information of the reactors is printed into each node.
Defaults to ``False``.
:param species:
If ``print_state`` is ``True``, define how species are to be printed.
Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all
species, respectively, or an iterable that contains the desired species
names as strings. Defaults to ``None``.
:param graph_attr:
Attributes to be passed to the ``graphviz.Digraph`` function that
control the general appearance of the drawn network.
@ -2060,6 +2056,9 @@ cdef class ReactorNet:
:param mass_flow_attr:
Same as `edge_attr` but only applied to edges representing
`FlowDevice` objects.
:param kwargs:
Additional keywords are passed on to each call of `draw_reactor`,
`draw_surface` and `draw_connections`.
:return:
``graphviz.graphs.BaseGraph`` object with reactor net.

5
test/python/test_reactor.py
View File

@ -900,6 +900,11 @@ class TestReactor(utilities.CanteraTest):
dot = r1.draw(print_state=True, species=["H2"])
self.assertEqual(dot.body, expected)
expected = [('\tName [label="{T (K)\\n300.00|P (bar)\\n1.013}|X (ppm)'
'\\nO2: 1000000.0" shape=Mrecord xlabel=Name]\n')]
dot = r1.draw(print_state=True, species=["O2"], species_units="ppm")
self.assertEqual(dot.body, expected)
dot = _graphviz.Digraph()
r1.draw(dot)
expected = ['\tName\n']