nothing fancy

src/scgenerator/data/materials.toml

@@ -11,9 +11,7 @@ reference = [
     B         = [1.03961212, 0.231792344, 1.01046945]
     C         = [6.00069867e-15, 2.00179144e-14, 1.03560653e-10]
     kind      = 1
-reference = [
+    reference = ["SCHOTT Zemax catalog 2017-01-20b (obtained from http://www.schott.com)"]
-    "SCHOTT Zemax catalog 2017-01-20b (obtained from http://www.schott.com)",
-]
 
 [e7.sellmeier]
     B = [0.0, 7.2e-15, 3e-28]
@@ -24,14 +22,7 @@ reference = [
     ]
 
 [d-zlaf52la.sellmeier]
-B = [
+    B         = [-8.48750283e9, 3.1753525, 3.71301651e-14, -1.09609062e-27, 2.4418582e-40, -8.94583294e-54]
-    -8.48750283e9,
-    3.1753525,
-    3.71301651e-14,
-    -1.09609062e-27,
-    2.4418582e-40,
-    -8.94583294e-54,
-]
     C         = []
     kind      = 3
     reference = ["CDGM Zemax catalog 2017-09 (obtained from http://www.cdgmgd.com)"]
@@ -42,8 +33,8 @@ reference = ["CDGM Zemax catalog 2017-09 (obtained from http://www.cdgmgd.com)"]
 
 [air]
     a           = 0.1358
-b = 3.64e-5
     atomic_mass = 4.809e-26
+    b           = 3.64e-5
 
 [air.sellmeier]
     B    = [57921050000.0, 1679170000.0]
@@ -60,8 +51,8 @@ source = "Pigeon, J. J., Tochitsky, S. Y., Welch, E. C., & Joshi, C. (2016). Mea
 
 [nitrogen]
     a           = 0.137
-b = 1.709e-5
     atomic_mass = 2.3259e-26
+    b           = 1.709e-5
 
 [nitrogen.sellmeier]
     B     = [32431570000.0]
@@ -79,10 +70,10 @@ source = "Wahlstrand, J. K., Cheng, Y. H., & Milchberg, H. M. (2012). High field
 
 [helium]
     a                 = 0.00346
+    atomic_mass       = 6.646477e-27
+    atomic_number     = 2
     b                 = 2.38e-5
     ionization_energy = 3.9393356074281e-18
-atomic_number = 2
-atomic_mass = 6.646477e-27
 
 [helium.sellmeier]
     B      = [2.16463842e-5, 2.10561127e-7, 4.7509272e-5]
@@ -117,8 +108,8 @@ n2 = 3.1e-25
 
 [hydrogen]
     a           = 0.02453
-b = 2.651e-5
     atomic_mass = 1.674e-27
+    b           = 2.651e-5
 
 [hydrogen.sellmeier]
     B      = [0.0148956, 0.0049037]
@@ -136,10 +127,10 @@ source = "Shelton, D. P., & Rice, J. E. (1994). Measurements and calculations of
 
 [neon]
     a                 = 0.02135
+    atomic_mass       = 3.35092e-26
+    atomic_number     = 10
     b                 = 1.709e-5
     ionization_energy = 3.45501365359425e-18
-atomic_number = 10
-atomic_mass = 3.35092e-26
 
 [neon.sellmeier]
     B    = [1281450000.0, 22048600000.0]
@@ -156,10 +147,10 @@ source = "Wahlstrand, J. K., Cheng, Y. H., & Milchberg, H. M. (2012). High field
 
 [argon]
     a                 = 0.1355
+    atomic_mass       = 6.6338e-26
+    atomic_number     = 18
     b                 = 3.201e-5
     ionization_energy = 2.5249661793774e-18
-atomic_number = 18
-atomic_mass = 6.6338e-26
 
 [argon.sellmeier]
     B      = [2501410000.0, 500283000.0, 52234300000.0]
@@ -214,10 +205,10 @@ source = "Wahlstrand, J. K., Cheng, Y. H., & Milchberg, H. M. (2012). High field
 
 [krypton]
     a                 = 0.2349
+    atomic_mass       = 1.3915e-25
+    atomic_number     = 36
     b                 = 3.978e-5
     ionization_energy = 2.2429831039374e-18
-atomic_number = 36
-atomic_mass = 1.3915e-25
 
 [krypton.sellmeier]
     B    = [2536370000.0, 2736490000.0, 62080200000.0]
@@ -234,10 +225,10 @@ source = "Wahlstrand, J. K., Cheng, Y. H., & Milchberg, H. M. (2012). High field
 
 [xenon]
     a                 = 0.425
+    atomic_mass       = 2.18017e-25
+    atomic_number     = 54
     b                 = 5.105e-5
     ionization_energy = 1.94342415157935
-atomic_number = 54
-atomic_mass = 2.18017e-25
 
 [xenon.sellmeier]
     B    = [3228690000.0, 3553930000.0, 60676400000.0]
@@ -254,8 +245,8 @@ source = "Wahlstrand, J. K., Cheng, Y. H., & Milchberg, H. M. (2012). High field
 
 [vacuum]
     a           = 0
-b = 0
     atomic_mass = 0
+    b           = 0
 
 [vacuum.sellmeier]
     B    = []

src/scgenerator/helpers.py

@@ -2,12 +2,14 @@
 series of helper functions
 """
 
-from scgenerator.physics.materials import n_gas_2
-from scgenerator.physics.fiber import n_eff_marcatili, beta2, beta2_to_D
-from scgenerator.physics.units import c
 import numpy as np
 
-__all__ = ["capillary_dispersion"]
+from scgenerator.math import all_zeros
+from scgenerator.physics.fiber import beta2, n_eff_marcatili, n_eff_hasan
+from scgenerator.physics.materials import n_gas_2
+from scgenerator.physics.units import c
+
+__all__ = ["capillary_dispersion", "capillary_zdw", "revolver_dispersion"]
 
 
 def capillary_dispersion(
@@ -43,11 +45,100 @@ def capillary_dispersion(
     return beta2(w, n)[2:-2]
 
 
-def extend_axis(wl):
+def capillary_zdw(
-    dwl_left = wl[1] - wl[0]
+    radius: float,
-    dwl_right = wl[-1] - wl[-2]
+    gas_name: str,
-    wl = np.concatenate(
+    pressure=None,
-        ([wl[0] - 2 * dwl_left, wl[0] - dwl_left], wl, [wl[-1] + dwl_right, wl[-1] + 2 * dwl_right])
+    temperature=None,
+    search_range: tuple[float, float] = (200e-9, 3000e-9),
+) -> np.ndarray:
+    """find the zero dispersion wavelength of a capilally
+
+    Parameters
+    ----------
+    radius : float
+        in mnm
+    gas_name : str
+        gas name (case insensitive)
+    pressure : float, optional
+        pressure in Pa (multiply mbar by 100 to get Pa), by default atm pressure
+    temperature : float, optional
+        temperature in K, by default 20°C
+    search_range : (float, float), optional
+        range of wavelength (in m) in which to search for the ZDW, by default (200e-9, 3000e-9)
+
+    Returns
+    -------
+    np.ndarray
+        array of zero dispersion wavelength(s)
+    """
+    wl = np.linspace(*search_range[:2], 1024)
+    disp = capillary_dispersion(wl, radius, gas_name, pressure, temperature)
+    return all_zeros(wl, disp)
+
+
+def revolver_dispersion(
+    wl: np.ndarray,
+    core_radius: float,
+    gas_name: str,
+    capillary_num: int,
+    capillary_thickness: float,
+    capillary_spacing: float,
+    capillary_nested: int = 0,
+    capillary_resonance_strengths: list[float] = None,
+    pressure=None,
+    temperature=None,
+) -> np.ndarray:
+    """computes the dispersion (beta2) of a capillary tube
+
+    Parameters
+    ----------
+    wl : np.ndarray
+        wavelength in m
+    radius : float
+        core radius in m
+    gas_name : str
+        gas name (case insensitive)
+    pressure : float, optional
+        pressure in Pa (multiply mbar by 100 to get Pa), by default atm pressure
+    temperature : float, optional
+        temperature in K, by default 20°C
+
+    Returns
+    -------
+    np.ndarray
+        D parameter
+    """
+    capillary_resonance_strengths = capillary_resonance_strengths or []
+    wl = extend_axis(wl)
+    if pressure is None:
+        pressure = 101325
+    if temperature is None:
+        temperature = 293.15
+    n = n_eff_hasan(
+        wl,
+        n_gas_2(wl, gas_name.lower(), pressure, temperature, False),
+        core_radius,
+        capillary_num,
+        capillary_nested,
+        capillary_thickness,
+        capillary_spacing,
+        capillary_resonance_strengths,
+    )
+    w = 2 * np.pi * c / wl
+    return beta2(w, n)[2:-2]
+
+
+def extend_axis(axis: np.ndarray) -> np.ndarray:
+    """add 4 values to an array, 2 on each 'side'"""
+    dwl_left = axis[1] - axis[0]
+    dwl_right = axis[-1] - axis[-2]
+    axis = np.concatenate(
+        (
+            [axis[0] - 2 * dwl_left, axis[0] - dwl_left],
+            axis,
+            [axis[-1] + dwl_right, axis[-1] + 2 * dwl_right],
+        )
     )
 
-    return wl
+    return axis

src/scgenerator/physics/fiber.py

@@ -4,15 +4,14 @@ import numpy as np
 from numpy import e
 from numpy.fft import fft
 from numpy.polynomial.chebyshev import Chebyshev, cheb2poly
+from scgenerator import utils
+from scgenerator.cache import np_cache
+from scgenerator.math import argclosest, u_nm
+from scgenerator.physics import materials as mat
+from scgenerator.physics import units
+from scgenerator.physics.units import c, pi
 from scipy.interpolate import interp1d
 
-from .. import utils
-from ..cache import np_cache
-from ..math import argclosest, u_nm
-from . import materials as mat
-from . import units
-from .units import c, pi
-
 pipi = 2 * pi
 T = TypeVar("T")
 
@@ -328,7 +327,9 @@ def n_eff_hasan(
 
     Reference
     ----------
-    Hasan, Md Imran, Nail Akhmediev, and Wonkeun Chang. "Empirical formulae for dispersion and effective mode area in hollow-core antiresonant fibers." Journal of Lightwave Technology 36.18 (2018): 4060-4065.
+    Hasan, Md Imran, Nail Akhmediev, and Wonkeun Chang. "Empirical formulae for dispersion and
+    effective mode area in hollow-core antiresonant fibers." Journal of Lightwave Technology 36.18
+    (2018): 4060-4065.
     """
     u = u_nm(1, 1)
     alpha = 5e-12
@@ -627,7 +628,6 @@ def beta2(w_for_disp: np.ndarray, n_eff: np.ndarray) -> np.ndarray:
     return np.gradient(np.gradient(beta(w_for_disp, n_eff), w_for_disp), w_for_disp)
 
 
-
 def frame_velocity(beta1_arr: np.ndarray, w0_ind: int) -> float:
     return 1.0 / beta1_arr[w0_ind]
 

src/scgenerator/physics/materials.py

@@ -1,14 +1,15 @@
+from __future__ import annotations
+
 import functools
 from dataclasses import dataclass, field
 from typing import Any, TypeVar
 
 import numpy as np
-
+from scgenerator import utils
-from .. import utils
+from scgenerator.cache import np_cache
-from ..cache import np_cache
+from scgenerator.logger import get_logger
-from ..logger import get_logger
+from scgenerator.physics import units
-from . import units
+from scgenerator.physics.units import NA, c, epsilon0, kB
-from .units import NA, c, epsilon0, kB
 
 T = TypeVar("T", np.floating, np.ndarray)
 
@@ -22,6 +23,21 @@ class Sellmeier:
     kind: int = 2
     constant: float = 0
 
+    @classmethod
+    def load(cls, name: str) -> Sellmeier:
+        mat_dico = utils.load_material_dico(name)
+        s = mat_dico.get("sellmeier", {})
+        return cls(
+            **{
+                newk: s.get(k, None)
+                for newk, k in zip(
+                    ["B", "C", "pressure_ref", "temperature_ref", "kind", "constant"],
+                    ["B", "C", "P0", "T0", "kind", "const"],
+                )
+                if k in s
+            }
+        )
+
     def chi(self, wl: T) -> T:
         """n^2 - 1"""
         if isinstance(wl, np.ndarray):

src/scgenerator/utils.py

@@ -14,16 +14,16 @@ from dataclasses import dataclass
 from functools import cache, lru_cache
 from pathlib import Path
 from string import printable as str_printable
-from typing import Any, Callable, MutableMapping, Sequence, TypeVar, Set, Union
+from typing import Any, Callable, MutableMapping, Sequence, TypeVar, Union
 
 import numpy as np
 import pkg_resources as pkg
 import tomli
 import tomli_w
 
-from .const import PARAM_FN, PARAM_SEPARATOR, SPEC1_FN, Z_FN, ROOT_PARAMETERS
+from scgenerator.const import PARAM_FN, PARAM_SEPARATOR, ROOT_PARAMETERS, SPEC1_FN, Z_FN
-from .logger import get_logger
+from scgenerator.errors import DuplicateParameterError
-from .errors import DuplicateParameterError
+from scgenerator.logger import get_logger
 
 T_ = TypeVar("T_")
 
@@ -85,8 +85,8 @@ class Paths:
 class SubConfig:
     fixed: dict[str, Any]
     variable: list[dict[str, list]]
-    fixed_keys: Set[str]
+    fixed_keys: set[str]
-    variable_keys: Set[str]
+    variable_keys: set[str]
 
     def __init__(self, dico: dict[str, Any]):
         dico = dico.copy()