From 25dc5ab59f35e97e41d2fb0b4b93665908971e5c Mon Sep 17 00:00:00 2001
From: Francesco Witte <github@witte.sh>
Date: Sun, 7 Jan 2024 13:38:14 +0100
Subject: [PATCH 1/2] Remove ordereddicts and implement zeta calculation method

---
 src/tespy/components/combustion/engine.py     |  8 ++--
 src/tespy/components/component.py             | 39 +++++++++++--------
 src/tespy/components/heat_exchangers/base.py  | 14 +++----
 .../components/heat_exchangers/condenser.py   |  2 -
 .../heat_exchangers/parabolic_trough.py       |  6 +--
 .../components/heat_exchangers/simple.py      |  5 +--
 .../heat_exchangers/solar_collector.py        |  6 +--
 src/tespy/components/piping/valve.py          |  5 +--
 src/tespy/components/reactors/fuel_cell.py    | 10 ++---
 .../components/reactors/water_electrolyzer.py | 10 ++---
 src/tespy/connections/connection.py           |  6 +--
 src/tespy/networks/network.py                 |  5 +--
 src/tespy/tools/data_containers.py            | 14 +++----
 src/tespy/tools/global_vars.py                |  5 +--
 src/tespy/tools/helpers.py                    | 22 -----------
 src/tespy/tools/optimization.py               | 13 ++-----
 16 files changed, 64 insertions(+), 106 deletions(-)

diff --git a/src/tespy/components/combustion/engine.py b/src/tespy/components/combustion/engine.py
index 6f47613a3..aa4661371 100644
--- a/src/tespy/components/combustion/engine.py
+++ b/src/tespy/components/combustion/engine.py
@@ -1302,11 +1302,9 @@ def calc_parameters(self):
                 self.outl[i].h.val_SI - self.inl[i].h.val_SI)
             self.get_attr('pr' + str(i + 1)).val = (
                 self.outl[i].p.val_SI / self.inl[i].p.val_SI)
-            self.get_attr('zeta' + str(i + 1)).val = (
-                (self.inl[i].p.val_SI - self.outl[i].p.val_SI) * np.pi ** 2 / (
-                    4 * self.inl[i].m.val_SI ** 2 *
-                    (self.inl[i].vol.val_SI + self.outl[i].vol.val_SI)
-                ))
+            self.get_attr('zeta' + str(i + 1)).val = self.calc_zeta(
+                self.inl[i], self.outl[i]
+            )
 
         self.P.val = self.calc_P()
         self.Qloss.val = self.calc_Qloss()
diff --git a/src/tespy/components/component.py b/src/tespy/components/component.py
index 8c8dec496..3d9e0f24c 100644
--- a/src/tespy/components/component.py
+++ b/src/tespy/components/component.py
@@ -12,8 +12,6 @@
 SPDX-License-Identifier: MIT
 """
 
-from collections import OrderedDict
-
 import numpy as np
 
 from tespy.tools import logger
@@ -122,7 +120,7 @@ def __init__(self, label, **kwargs):
         self.fkt_group = self.label
 
         # add container for components attributes
-        self.parameters = OrderedDict(self.get_parameters().copy())
+        self.parameters = self.get_parameters().copy()
         self.__dict__.update(self.parameters)
         self.set_attr(**kwargs)
 
@@ -342,7 +340,7 @@ def preprocess(self, num_nw_vars):
         self.num_eq = 0
         self.vars = {}
         self.num_vars = 0
-        self.constraints = OrderedDict(self.get_mandatory_constraints().copy())
+        self.constraints = self.get_mandatory_constraints().copy()
         self.prop_specifications = {}
         self.var_specifications = {}
         self.group_specifications = {}
@@ -415,7 +413,7 @@ def preprocess(self, num_nw_vars):
             if data.is_set and data.func is not None:
                 self.num_eq += data.num_eq
 
-        self.jacobian = OrderedDict()
+        self.jacobian = {}
         self.residual = np.zeros(self.num_eq)
 
         sum_eq = 0
@@ -813,18 +811,18 @@ def check_parameter_bounds(self):
             if isinstance(data, dc_cp):
                 if data.val > data.max_val + ERR :
                     msg = (
-                        'Invalid value for ' + p + ': ' + p + ' = ' +
-                        str(data.val) + ' above maximum value (' +
-                        str(data.max_val) + ') at component ' + self.label +
-                        '.')
+                        f"Invalid value for {p}: {p} = {data.val} above "
+                        f"maximum value ({data.max_val}) at component "
+                        f"{self.label}."
+                    )
                     logger.warning(msg)
 
                 elif data.val < data.min_val - ERR :
                     msg = (
-                        'Invalid value for ' + p + ': ' + p + ' = ' +
-                        str(data.val) + ' below minimum value (' +
-                        str(data.min_val) + ') at component ' + self.label +
-                        '.')
+                        f"Invalid value for {p}: {p} = {data.val} below "
+                        f"minimum value ({data.max_val}) at component "
+                        f"{self.label}."
+                    )
                     logger.warning(msg)
 
             elif isinstance(data, dc_cc) and data.is_set:
@@ -968,7 +966,8 @@ def enthalpy_equality_func_doc(self, label):
             indices = str(indices[0])
         latex = (
             r'0=h_{\mathrm{in,}i}-h_{\mathrm{out,}i}'
-            r'\; \forall i \in [' + indices + r']')
+            r'\; \forall i \in [' + indices + r']'
+        )
         return generate_latex_eq(self, latex, label)
 
     def enthalpy_equality_deriv(self, k):
@@ -1021,8 +1020,7 @@ def pr_func(self, pr='', inconn=0, outconn=0):
                 0 = p_{in} \cdot pr - p_{out}
         """
         pr = self.get_attr(pr)
-        return (self.inl[inconn].p.val_SI * pr.val -
-                self.outl[outconn].p.val_SI)
+        return self.inl[inconn].p.val_SI * pr.val - self.outl[outconn].p.val_SI
 
     def pr_func_doc(self, label, pr='', inconn=0, outconn=0):
         r"""
@@ -1083,6 +1081,15 @@ def pr_deriv(self, increment_filter, k, pr='', inconn=0, outconn=0):
         if pr.is_var:
             self.jacobian[k, self.pr.J_col] = i.p.val_SI
 
+    def calc_zeta(self, i, o):
+        if abs(i.m.val_SI) <= 1e-4:
+            return 0
+        else:
+            return (
+                (i.p.val_SI - o.p.val_SI) * np.pi ** 2
+                / (4 * i.m.val_SI ** 2 * (i.vol.val_SI + o.vol.val_SI))
+            )
+
     def zeta_func(self, zeta='', inconn=0, outconn=0):
         r"""
         Calculate residual value of :math:`\zeta`-function.
diff --git a/src/tespy/components/heat_exchangers/base.py b/src/tespy/components/heat_exchangers/base.py
index 82830fac8..f1685f639 100644
--- a/src/tespy/components/heat_exchangers/base.py
+++ b/src/tespy/components/heat_exchangers/base.py
@@ -830,11 +830,9 @@ def calc_parameters(self):
         for i in range(2):
             self.get_attr('pr' + str(i + 1)).val = (
                 self.outl[i].p.val_SI / self.inl[i].p.val_SI)
-            self.get_attr('zeta' + str(i + 1)).val = (
-                (self.inl[i].p.val_SI - self.outl[i].p.val_SI) * np.pi ** 2 / (
-                    4 * self.inl[i].m.val_SI ** 2 *
-                    (self.inl[i].vol.val_SI + self.outl[i].vol.val_SI)
-                ))
+            self.get_attr('zeta' + str(i + 1)).val = self.calc_zeta(
+                self.inl[i], self.outl[i]
+            )
 
         # kA and logarithmic temperature difference
         if self.ttd_u.val < 0 or self.ttd_l.val < 0:
@@ -842,8 +840,10 @@ def calc_parameters(self):
         elif self.ttd_l.val == self.ttd_u.val:
             self.td_log.val = self.ttd_l.val
         else:
-            self.td_log.val = ((self.ttd_l.val - self.ttd_u.val) /
-                               np.log(self.ttd_l.val / self.ttd_u.val))
+            self.td_log.val = (
+                (self.ttd_l.val - self.ttd_u.val)
+                / np.log(self.ttd_l.val / self.ttd_u.val)
+            )
         self.kA.val = -self.Q.val / self.td_log.val
 
     def entropy_balance(self):
diff --git a/src/tespy/components/heat_exchangers/condenser.py b/src/tespy/components/heat_exchangers/condenser.py
index 241a9c01b..a87316095 100644
--- a/src/tespy/components/heat_exchangers/condenser.py
+++ b/src/tespy/components/heat_exchangers/condenser.py
@@ -19,8 +19,6 @@
 from tespy.tools.data_containers import GroupedComponentCharacteristics as dc_gcc
 from tespy.tools.data_containers import SimpleDataContainer as dc_simple
 from tespy.tools.document_models import generate_latex_eq
-from tespy.tools.fluid_properties import T_mix_ph
-from tespy.tools.fluid_properties import T_sat_p
 from tespy.tools.fluid_properties import dh_mix_dpQ
 from tespy.tools.fluid_properties import h_mix_pQ
 
diff --git a/src/tespy/components/heat_exchangers/parabolic_trough.py b/src/tespy/components/heat_exchangers/parabolic_trough.py
index 5a41e98d1..169d164fd 100644
--- a/src/tespy/components/heat_exchangers/parabolic_trough.py
+++ b/src/tespy/components/heat_exchangers/parabolic_trough.py
@@ -361,10 +361,8 @@ def calc_parameters(self):
 
         self.Q.val = i.m.val_SI * (o.h.val_SI - i.h.val_SI)
         self.pr.val = o.p.val_SI / i.p.val_SI
-        self.zeta.val = (
-            (i.p.val_SI - o.p.val_SI) * np.pi ** 2
-            / (4 * i.m.val_SI ** 2 * (i.vol.val_SI + o.vol.val_SI))
-        )
+        self.zeta.val = self.calc_zeta(i, o)
+
         if self.energy_group.is_set:
             self.Q_loss.val = - self.E.val * self.A.val + self.Q.val
             self.Q_loss.is_result = True
diff --git a/src/tespy/components/heat_exchangers/simple.py b/src/tespy/components/heat_exchangers/simple.py
index 29d141ea9..57623e758 100644
--- a/src/tespy/components/heat_exchangers/simple.py
+++ b/src/tespy/components/heat_exchangers/simple.py
@@ -884,10 +884,7 @@ def calc_parameters(self):
 
         self.Q.val = i.m.val_SI * (o.h.val_SI - i.h.val_SI)
         self.pr.val = o.p.val_SI / i.p.val_SI
-        self.zeta.val = (
-            (i.p.val_SI - o.p.val_SI) * np.pi ** 2
-            / (4 * i.m.val_SI ** 2 * (i.vol.val_SI + o.vol.val_SI))
-        )
+        self.zeta.val = self.calc_zeta(i, o)
 
         if self.Tamb.is_set:
             ttd_1 = i.T.val_SI - self.Tamb.val_SI
diff --git a/src/tespy/components/heat_exchangers/solar_collector.py b/src/tespy/components/heat_exchangers/solar_collector.py
index bce3198ce..9a940e12c 100644
--- a/src/tespy/components/heat_exchangers/solar_collector.py
+++ b/src/tespy/components/heat_exchangers/solar_collector.py
@@ -311,10 +311,8 @@ def calc_parameters(self):
 
         self.Q.val = i.m.val_SI * (o.h.val_SI - i.h.val_SI)
         self.pr.val = o.p.val_SI / i.p.val_SI
-        self.zeta.val = (
-            (i.p.val_SI - o.p.val_SI) * np.pi ** 2
-            / (4 * i.m.val_SI ** 2 * (i.vol.val_SI + o.vol.val_SI))
-        )
+        self.zeta.val = self.calc_zeta(i, o)
+
         if self.energy_group.is_set:
             self.Q_loss.val = -(self.E.val * self.A.val - self.Q.val)
             self.Q_loss.is_result = True
diff --git a/src/tespy/components/piping/valve.py b/src/tespy/components/piping/valve.py
index 3b23aadcb..723e1d829 100644
--- a/src/tespy/components/piping/valve.py
+++ b/src/tespy/components/piping/valve.py
@@ -316,10 +316,7 @@ def calc_parameters(self):
         i = self.inl[0]
         o = self.outl[0]
         self.pr.val = o.p.val_SI / i.p.val_SI
-        self.zeta.val = (
-            (i.p.val_SI - o.p.val_SI) * np.pi ** 2
-            / (4 * i.m.val_SI ** 2 * (i.vol.val_SI + o.vol.val_SI))
-        )
+        self.zeta.val = self.calc_zeta(i, o)
 
     def entropy_balance(self):
         r"""
diff --git a/src/tespy/components/reactors/fuel_cell.py b/src/tespy/components/reactors/fuel_cell.py
index 088d09757..fe0198bcc 100644
--- a/src/tespy/components/reactors/fuel_cell.py
+++ b/src/tespy/components/reactors/fuel_cell.py
@@ -828,15 +828,13 @@ def initialise_target(self, c, key):
 
     def calc_parameters(self):
         r"""Postprocessing parameter calculation."""
-        self.Q.val = - self.inl[0].m.val_SI * (
-            self.outl[0].h.val_SI - self.inl[0].h.val_SI)
+        self.Q.val = -self.inl[0].m.val_SI * (
+            self.outl[0].h.val_SI - self.inl[0].h.val_SI
+        )
         self.pr.val = self.outl[0].p.val_SI / self.inl[0].p.val_SI
         self.e.val = self.P.val / self.inl[2].m.val_SI
         self.eta.val = self.e.val / self.e0
 
         i = self.inl[0]
         o = self.outl[0]
-        self.zeta.val = (
-            (i.p.val_SI - o.p.val_SI) * np.pi ** 2
-            / (4 * i.m.val_SI ** 2 * (i.vol.val_SI + o.vol.val_SI))
-        )
+        self.zeta.val = self.calc_zeta(i, o)
diff --git a/src/tespy/components/reactors/water_electrolyzer.py b/src/tespy/components/reactors/water_electrolyzer.py
index 9e8e959d8..e93d87a9a 100644
--- a/src/tespy/components/reactors/water_electrolyzer.py
+++ b/src/tespy/components/reactors/water_electrolyzer.py
@@ -1157,18 +1157,16 @@ def initialise_target(self, c, key):
 
     def calc_parameters(self):
         r"""Postprocessing parameter calculation."""
-        self.Q.val = - self.inl[0].m.val_SI * (
-            self.outl[0].h.val_SI - self.inl[0].h.val_SI)
+        self.Q.val = -self.inl[0].m.val_SI * (
+            self.outl[0].h.val_SI - self.inl[0].h.val_SI
+        )
         self.pr.val = self.outl[0].p.val_SI / self.inl[0].p.val_SI
         self.e.val = self.P.val / self.outl[2].m.val_SI
         self.eta.val = self.e0 / self.e.val
 
         i = self.inl[0]
         o = self.outl[0]
-        self.zeta.val = (
-            (i.p.val_SI - o.p.val_SI) * np.pi ** 2
-            / (4 * i.m.val_SI ** 2 * (i.vol.val_SI + o.vol.val_SI))
-        )
+        self.zeta.val = self.calc_zeta(i, o)
 
     def exergy_balance(self, T0):
         self.E_P = (
diff --git a/src/tespy/connections/connection.py b/src/tespy/connections/connection.py
index 459bcd14b..3c58eeafe 100644
--- a/src/tespy/connections/connection.py
+++ b/src/tespy/connections/connection.py
@@ -9,8 +9,6 @@
 SPDX-License-Identifier: MIT
 """
 
-from collections import OrderedDict
-
 import numpy as np
 
 from tespy.components.component import Component
@@ -303,7 +301,7 @@ def _check_connector_id(self, component, connector_id, connecter_locations):
         if connector_id not in connecter_locations:
             msg = (
                 "Error creating connection. Specified connector for "
-                f"{component.label} ({connector_id} is not available. Choose "
+                f"{component.label} ({connector_id}) is not available. Choose "
                 f"from " + ", ".join(connecter_locations) + "."
             )
             logger.error(msg)
@@ -626,7 +624,7 @@ def preprocess(self):
                 container._solved = False
 
         self.residual = np.zeros(self.num_eq)
-        self.jacobian = OrderedDict()
+        self.jacobian = {}
 
     def simplify_specifications(self):
         systemvar_specs = []
diff --git a/src/tespy/networks/network.py b/src/tespy/networks/network.py
index 48a4755d3..d7a11fa2c 100644
--- a/src/tespy/networks/network.py
+++ b/src/tespy/networks/network.py
@@ -15,7 +15,6 @@
 """
 import json
 import os
-from collections import OrderedDict
 from time import time
 
 import numpy as np
@@ -189,7 +188,7 @@ def set_defaults(self):
         # user defined function dictionary for fast access
         self.user_defined_eq = {}
         # bus dictionary
-        self.busses = OrderedDict()
+        self.busses = {}
         # results and specification dictionary
         self.results = {}
         self.specifications = {}
@@ -1262,7 +1261,7 @@ def init_design(self):
                 c.m.design = np.nan
                 c.p.design = np.nan
                 c.h.design = np.nan
-                c.fluid.design = OrderedDict()
+                c.fluid.design = {}
 
                 c.new_design = True
 
diff --git a/src/tespy/tools/data_containers.py b/src/tespy/tools/data_containers.py
index f55447d32..a9e559626 100644
--- a/src/tespy/tools/data_containers.py
+++ b/src/tespy/tools/data_containers.py
@@ -354,15 +354,15 @@ def attr():
             values.
         """
         return {
-            'val': collections.OrderedDict(),
-            'val0': collections.OrderedDict(),
+            'val': dict(),
+            'val0': dict(),
             'is_set': set(),
-            'design': collections.OrderedDict(),
-            'wrapper': collections.OrderedDict(),
-            'back_end': collections.OrderedDict(),
-            'engine': collections.OrderedDict(),
+            'design': dict(),
+            'wrapper': dict(),
+            'back_end': dict(),
+            'engine': dict(),
             "is_var": set(),
-            "J_col": collections.OrderedDict(),
+            "J_col": dict(),
         }
 
     def serialize(self):
diff --git a/src/tespy/tools/global_vars.py b/src/tespy/tools/global_vars.py
index 37a9273e5..8cd773f1a 100644
--- a/src/tespy/tools/global_vars.py
+++ b/src/tespy/tools/global_vars.py
@@ -8,14 +8,13 @@
 
 SPDX-License-Identifier: MIT
 """
-from collections import OrderedDict
 
 ERR = 1e-6
 molar_masses = {}
 gas_constants = {}
 gas_constants['uni'] = 8.314462618
 
-fluid_property_data = OrderedDict({
+fluid_property_data = {
     'm': {
         'text': 'mass flow',
         'SI_unit': 'kg / s',
@@ -99,6 +98,6 @@
         'latex_eq': r'0 = s_\mathrm{spec} - s\left(p, h \right)',
         'documentation': {'float_fmt': '{:,.2f}'}
     }
-})
+}
 
 combustion_gases = ['methane', 'ethane', 'propane', 'butane', 'hydrogen', 'nDodecane']
diff --git a/src/tespy/tools/helpers.py b/src/tespy/tools/helpers.py
index d92ebf04e..efd5b7720 100644
--- a/src/tespy/tools/helpers.py
+++ b/src/tespy/tools/helpers.py
@@ -11,7 +11,6 @@
 
 import json
 import os
-from collections import OrderedDict
 from collections.abc import Mapping
 from copy import deepcopy
 
@@ -65,27 +64,6 @@ def merge_dicts(dict1, dict2):
     return result
 
 
-def nested_OrderedDict(dictionary):
-    """Create a nested OrderedDict from a nested dict.
-
-    Parameters
-    ----------
-    dictionary : dict
-        Nested dict.
-
-    Returns
-    -------
-    dictionary : collections.OrderedDict
-        Nested OrderedDict.
-    """
-    dictionary = OrderedDict(dictionary)
-    for key, value in dictionary.items():
-        if isinstance(value, dict):
-            dictionary[key] = nested_OrderedDict(value)
-
-    return dictionary
-
-
 class TESPyNetworkError(Exception):
     """Custom message for network related errors."""
 
diff --git a/src/tespy/tools/optimization.py b/src/tespy/tools/optimization.py
index b7a513878..4154d1a95 100644
--- a/src/tespy/tools/optimization.py
+++ b/src/tespy/tools/optimization.py
@@ -6,7 +6,6 @@
 import pandas as pd
 
 from tespy.tools.helpers import merge_dicts
-from tespy.tools.helpers import nested_OrderedDict
 
 
 class OptimizationProblem:
@@ -70,14 +69,8 @@ def __init__(self, model, variables={}, constraints={}, objective="objective"):
             "upper limits": {"Connections": {}, "Components": {}}
         }
         # merge the passed values into the default dictionary structure
-        variables = merge_dicts(variables, default_variables)
-        constraints = merge_dicts(constraints, default_constraints)
-
-        # pygmo creates a vector for the variables and constraints, which has
-        # to be in consistent order. Therefore use OrderedDicts instead of
-        # dictionaries
-        self.variables = nested_OrderedDict(variables)
-        self.constraints = nested_OrderedDict(constraints)
+        self.variables = merge_dicts(variables, default_variables)
+        self.constraints = merge_dicts(constraints, default_constraints)
         self.objective = objective
         self.variable_list = []
         self.constraint_list = []
@@ -307,3 +300,5 @@ def run(self, algo, pop, num_ind, num_gen):
                     round(pop.champion_x[i], 4)
                 )
             )
+
+        return pop

From 7fb12658afc5b7f9be12ae79ee1d4d84014d9564 Mon Sep 17 00:00:00 2001
From: Francesco Witte <github@witte.sh>
Date: Mon, 8 Jan 2024 21:21:10 +0100
Subject: [PATCH 2/2] Fix link ignore

---
 docs/conf.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/conf.py b/docs/conf.py
index a8cf752fb..5d75eb094 100644
--- a/docs/conf.py
+++ b/docs/conf.py
@@ -148,5 +148,5 @@
   r'https://doi.org/20.500.12738/6561',  # 08.01.2023: does not resolve anymore
   r'https://doi.org/10.1021/ie4033999',  # 28.02.2023: does not resolve anymore for some reason
   r'https://doi.org/10.1002/bbpc.19900940121',  # 13.03.2023 ...?
-  r' http://www.coolprop.org/fluid_properties/Incompressibles.html',  # 02.12.2023 ...?
+  r'http://www.coolprop.org/fluid_properties/Incompressibles.html',  # 02.12.2023 ...?
 ]