update formating

- reformat files with black - fix some pylint warnings - use better logging static/classmethods - move demo scripts
drunsinn · Dec 16, 2023 · a513e4f · a513e4f
1 parent 7db0df1
commit a513e4f
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Showing 19 changed files with 491 additions and 803 deletions.
diff --git a/pyXSteam/Constants.py b/pyXSteam/Constants.py
@@ -5,10 +5,12 @@
 
 Sources:
 
-* IAPWS Industrial formulation 1997 for the Thermodynamic Properties of Water and Steam, September 1997
-
-* IAWPS Release on Vaues of Temperature, Pressure and Density of Ordinary and Heavy Water Substances at their Respective Critical Points Released September 1992, Revision of the Release of 1992
+* IAPWS Industrial formulation 1997 for the Thermodynamic Properties of Water
+and Steam, September 1997
 
+* IAWPS Release on Vaues of Temperature, Pressure and Density of Ordinary and
+Heavy Water Substances at their Respective Critical Points Released
+September 1992, Revision of the Release of 1992
 """
 from enum import IntEnum
 
@@ -48,16 +50,21 @@
 
 
 class UnitSystem(IntEnum):
+    """enum for supported unit systems"""
+
     BARE = 1  # m/kg/sec/K/MPa/W
     MKS = 1  # m/kg/sec/°C/bar/W
     FLS = 2  # ft/lb/sec/°F/psi/btu
 
     @classmethod
-    def has_value(cls, value):
+    def has_value(cls, value: int):
+        """check if value is member of enum"""
         return value in cls._value2member_map_
 
 
 class IceType(IntEnum):
+    """enum for the types of ice"""
+
     Ih = 1
     III = 3
     V = 5
@@ -66,11 +73,14 @@ class IceType(IntEnum):
     NONE = -1
 
     @classmethod
-    def has_value(cls, value):
+    def has_value(cls, value: int):
+        """check if value is member of enum"""
         return value in cls._value2member_map_
 
 
 class DiagramRegion(IntEnum):
+    """enum for the regions"""
+
     NILL = 0  # Error, Outside valid area
     R1 = 1
     R2 = 2

diff --git a/pyXSteam/IAPWS_R12.py b/pyXSteam/IAPWS_R12.py
@@ -19,7 +19,7 @@ def _my_dash_0(T_dash: float) -> float:
     numerator = 100 * math.sqrt(T_dash)
     denominator = 0
     for i in range(0, 4):
-        denominator += H[i] / T_dash ** i
+        denominator += H[i] / T_dash**i
     return numerator / denominator
 
 
@@ -79,15 +79,13 @@ def _y(xi: float) -> float:
         coefficient_1 = 1 - summand_0 + summand_1 - summand_2
         return coefficient_0 * coefficient_1
 
-    psi_D = math.acos((1 + (q_D ** 2) * (xi ** 2)) ** (-1 / 2))  # ep 17
+    psi_D = math.acos((1 + (q_D**2) * (xi**2)) ** (-1 / 2))  # ep 17
 
     summand_0 = 1 / 12 * math.sin(3 * psi_D)  # ep16, part 1
 
     summand_1 = (1 / (4 * q_C * xi)) * math.sin(2 * psi_D)  # ep16, part 2
 
-    summand_2 = (
-        (1 / (q_C * xi) ** 2) * (1 - (5 / 4) * (q_C * xi) ** 2) * math.sin(psi_D)
-    )  # ep16, part 3
+    summand_2 = (1 / (q_C * xi) ** 2) * (1 - (5 / 4) * (q_C * xi) ** 2) * math.sin(psi_D)  # ep16, part 3
 
     w = abs((q_C * xi - 1) / (q_C * xi + 1)) ** (1 / 2) * math.tan(psi_D / 2)  # ep 19
     sum3_sub0 = (1 - (3 / 2 * (q_C * xi) ** 2)) * psi_D
@@ -105,9 +103,7 @@ def _sigma(rho_dash: float, T_dash: float) -> float:
     # eq 21a
     # TODO
     logger.debug("rho_dash %f T_dash %f", rho_dash, T_dash)
-    raise NotImplementedError(
-        "use derivative of density on pressure at constant temperature"
-    )
+    raise NotImplementedError("use derivative of density on pressure at constant temperature")
     return -1
 
 
@@ -121,7 +117,6 @@ def _delta_chi_dash(rho_dash: float, T_dash: float) -> float:
 
 
 def _my_dash_2(T: float, rho: float, T_dash: float, rho_dash: float) -> float:
-
     if 645.91 < T < 650.77 and 245.8 < rho < 405.3:  # eq 13, page 6
         logger.debug("values for T and rho are within critical region")
         # critical region
@@ -143,9 +138,7 @@ def _my_dash_2(T: float, rho: float, T_dash: float, rho_dash: float) -> float:
         logger.debug("value for my_dash_2:%f", my_dash_2)
         return my_dash_2
 
-    logger.debug(
-        "values for T and rho are outside of critical region, use my_dash_2=1.0"
-    )
+    logger.debug("values for T and rho are outside of critical region, use my_dash_2=1.0")
     return 1.0  # section 2.8, page 8
 
 
@@ -189,10 +182,7 @@ def eq10(T: float, rho: float, industrial: bool = True) -> float:
 
     my_dash = my_dash_0 * my_dash_1 * my_dash_2  # eq 10
 
-    logger.debug(
-        "calculated values µ_0=%f µ_1=%f µ_2=%f µ_dash=%f"
-        % (my_dash_0, my_dash_1, my_dash_2, my_dash)
-    )
+    logger.debug("calculated values µ_0=%f µ_1=%f µ_2=%f µ_dash=%f" % (my_dash_0, my_dash_1, my_dash_2, my_dash))
 
     my = my_dash * my_star  # eq8, value is in µPa*s
     # my = my * 10E6 # in Pa*s

diff --git a/pyXSteam/IAPWS_R14.py b/pyXSteam/IAPWS_R14.py
@@ -48,7 +48,7 @@ def pmelt_T_iceIII(T: float) -> float:
     T_star = 251.165
     p_star = 208.566
     theta = T / T_star
-    pi_melt = 1 - 0.299948 * (1.0 - theta ** 60)
+    pi_melt = 1 - 0.299948 * (1.0 - theta**60)
     p_melt = pi_melt * p_star
     logger.debug("result for 'melting preasure of ice type III': %f", p_melt)
     return p_melt
@@ -67,7 +67,7 @@ def pmelt_T_iceV(T: float) -> float:
     T_star = 256.164
     p_star = 350.1
     theta = T / T_star
-    pi_melt = 1 - 1.18721 * (1.0 - theta ** 8)
+    pi_melt = 1 - 1.18721 * (1.0 - theta**8)
     p_melt = pi_melt * p_star
     logger.debug("result for 'melting preasure of ice type V': %f", p_melt)
     return p_melt
@@ -86,7 +86,7 @@ def pmelt_T_iceVI(T: float) -> float:
     T_star = 273.31
     p_star = 632.4
     theta = T / T_star
-    pi_melt = 1 - 1.07476 * (1.0 - theta ** 4.6)
+    pi_melt = 1 - 1.07476 * (1.0 - theta**4.6)
     p_melt = pi_melt * p_star
     logger.debug("result for 'melting preasure of ice type VI': %f", p_melt)
     return p_melt
@@ -105,9 +105,9 @@ def pmelt_T_iceVII(T: float) -> float:
     T_star = 355.0
     p_star = 2216.0
     theta = T / T_star
-    p1 = 0.173683e1 * (1 - (theta ** -1))
-    p2 = 0.544606e-1 * (1 - (theta ** 5))
-    p3 = 0.806106e-7 * (1 - (theta ** 22))
+    p1 = 0.173683e1 * (1 - (theta**-1))
+    p2 = 0.544606e-1 * (1 - (theta**5))
+    p3 = 0.806106e-7 * (1 - (theta**22))
     pi_melt = math.exp(p1 - p2 + p3)
     p_melt = pi_melt * p_star
     logger.debug("result for 'melting preasure of ice type VII': %f", p_melt)
@@ -132,7 +132,7 @@ def psubl_T(T: float) -> float:
     temp_sum = 0
     for i in range(0, 3):
         temp_sum += a[i] * theta ** b[i]
-    pi_subl = math.exp((theta ** -1) * temp_sum)
+    pi_subl = math.exp((theta**-1) * temp_sum)
     p_subl = pi_subl * p_star
     logger.debug("result for 'sublimation preasure of ice': %f", p_subl)
     return p_subl
diff --git a/pyXSteam/IAPWS_R4.py b/pyXSteam/IAPWS_R4.py
@@ -33,13 +33,11 @@ def myHW_rhoT_R4(rho: float, T: float) -> float:
     A = [1.0, 0.940695, 0.578377, -0.202044]
     sum_A_T = 0
     for i in range(0, 4):
-        sum_A_T += A[i] / (T_dash ** i)
+        sum_A_T += A[i] / (T_dash**i)
     my_0_dash = math.sqrt(T_dash) / sum_A_T
 
-    B = list()
-    B.append(
-        [0.4864192, -0.2448372, -0.8702035, 0.8716056, -1.051126, 0.3458395]
-    )  # j= 0
+    B = []
+    B.append([0.4864192, -0.2448372, -0.8702035, 0.8716056, -1.051126, 0.3458395])  # j= 0
     B.append([0.3509007, 1.315436, 1.297752, 1.353448, 0.0, 0.0])  # j= 1
     B.append([-0.2847572, -1.037026, -1.287846, 0.0, 0.0, -0.02148229])  # j= 2
     B.append([0.07013759, 0.4660127, 0.2292075, -0.4857462, 0.0, 0.0])  # j= 3
@@ -67,20 +65,20 @@ def myHW_rhoT_R4(rho: float, T: float) -> float:
 
 def tcHW_rhoT_R4(rho: float, T: float) -> float:
     """
-    Thermal conductivity as a function of density and temperature for heavy water substance.
+    Thermal conductivity as a function of density and temperature for heavy
+    water substance.
     Returns NaN if arguments are out of range
 
-    Note: function name is using tc instead of lambda to minimize the confusion with the python
+    Note: function name is using tc instead of lambda to minimize the confusion
+    with the python
     function of the same name.
 
     :param rho: density value for heavy water in [kg / m³]
     :param T: temperature value for heavy water in [K]
 
     :return: thermal conductivity λ or NaN, in [W / (m * K)]
     """
-    logger.debug(
-        "calculating 'thermal conductivity of heavy water' for ρ=%f and T=%f", rho, T
-    )
+    logger.debug("calculating 'thermal conductivity of heavy water' for ρ=%f and T=%f", rho, T)
 
     T_star = 643.847  # K
     rho_star = 358  # kg / m³
@@ -102,32 +100,30 @@ def tcHW_rhoT_R4(rho: float, T: float) -> float:
     rho_r1 = 0.125698
     D_1 = -741.112
     tau = T_dash / (math.fabs(T_dash - 1.1) + 1.1)  # B15
-    f_1 = math.exp(C_T1 * T_dash + C_T2 * (T_dash ** 2))  # B12
-    f_2 = math.exp(C_R1 * (rho_dash - 1.0) ** 2) + C_R2 * math.exp(
-        C_R3 * (rho_dash - rho_r1) ** 2
-    )  # B13
+    f_1 = math.exp(C_T1 * T_dash + C_T2 * (T_dash**2))  # B12
+    f_2 = math.exp(C_R1 * (rho_dash - 1.0) ** 2) + C_R2 * math.exp(C_R3 * (rho_dash - rho_r1) ** 2)  # B13
     f_3 = 1 + math.exp(60.0 * (tau - 1.0) + 20.0)  # B14
     f_4 = 1 + math.exp(100.0 * (tau - 1.0) + 15.0)  # B14
-    part_C2 = (C_2 * f_1 ** 4) / f_3
+    part_C2 = (C_2 * f_1**4) / f_3
     part_f2 = (3.5 * f_2) / f_4
 
     # equation B8
     temp_sum = 0
     for i in range(0, 6):
-        temp_sum += A[i] * (T_dash ** i)
+        temp_sum += A[i] * (T_dash**i)
     tc_o = temp_sum
 
     # equation B9
     temp_sum = 0
     for i in range(1, 5):
-        temp_sum += B[i] * (rho_dash ** i)
+        temp_sum += B[i] * (rho_dash**i)
     delta_tc = B[0] * (1.0 - math.exp(B_e * rho_dash)) + temp_sum
 
     # equation B10
-    delta_tc_c = C_1 * f_1 * f_2 * (1.0 + f_2 ** 2 * (part_C2 + part_f2))
+    delta_tc_c = C_1 * f_1 * f_2 * (1.0 + f_2**2 * (part_C2 + part_f2))
 
     # equation B11
-    delta_tc_L = D_1 * f_1 ** 1.2 * (1.0 - math.exp(-1.0 * (rho_dash / 2.5) ** 10))
+    delta_tc_L = D_1 * f_1**1.2 * (1.0 - math.exp(-1.0 * (rho_dash / 2.5) ** 10))
 
     # equation B7
     tc_dash = tc_o + delta_tc + delta_tc_c + delta_tc_L

diff --git a/pyXSteam/IAPWS_R5.py b/pyXSteam/IAPWS_R5.py
@@ -5,7 +5,6 @@
 Revised Release on Surface Tension of Heavy Water Substance
 http://www.iapws.org/relguide/surfd2o.pdf
 """
-import math
 import logging
 
 from .Constants import TRIPLE_POINT_TEMPERATURE, CRITICAL_TEMPERATURE_D20_1992
@@ -27,7 +26,6 @@ def surface_tension_T(T: float) -> float:
     my = 1.25
     if TRIPLE_POINT_TEMPERATURE < T < CRITICAL_TEMPERATURE_D20_1992:
         tau = 1 - T / CRITICAL_TEMPERATURE_D20_1992
-        return B * tau ** my * (1 + bb * tau)
-    else:
-        logger.warning("Temperature out of range of validity")
-        return float("NaN")
+        return B * tau**my * (1 + bb * tau)
+    logger.warning("Temperature out of range of validity")
+    return float("NaN")