From 11729f67e550ea82ae25cc10c4fca7834b95e645 Mon Sep 17 00:00:00 2001 From: Markus Rosenstihl Date: Thu, 3 Apr 2025 22:56:03 +0200 Subject: [PATCH] Added gradient calculation --- isotables/isotopapp/templates/posiiton.html | 81 + isotables/isotopapp/templates/sfg.html | 77 + isotables/isotopapp/urls.py | 2 + isotables/isotopapp/views.py | 105 +- isotables/oxford_profile.dat | 1984 +++++++++++++++++++ 5 files changed, 2247 insertions(+), 2 deletions(-) create mode 100644 isotables/isotopapp/templates/posiiton.html create mode 100644 isotables/isotopapp/templates/sfg.html create mode 100644 isotables/oxford_profile.dat diff --git a/isotables/isotopapp/templates/posiiton.html b/isotables/isotopapp/templates/posiiton.html new file mode 100644 index 0000000..536fab1 --- /dev/null +++ b/isotables/isotopapp/templates/posiiton.html @@ -0,0 +1,81 @@ + + + + + + + +
+

Isotopes

+ + + + + + + + + + + + + + + + + {% for attr in ans %} + + {% for i in attr %} + + {% endfor %} + + {% endfor %} + + +
+ Table downloaded from easyspin.org + (2023-07-29 markusro) +
NSymbolNamef0 in MHzSpinNat. ab. in %γ in MHz/TSens. in %(1H)
{{ i }}
+ {{ div| safe }} + +
+ + + + + + + {{ script| safe }} + +
+ + +Go Back + +
+ + + diff --git a/isotables/isotopapp/templates/sfg.html b/isotables/isotopapp/templates/sfg.html new file mode 100644 index 0000000..660e526 --- /dev/null +++ b/isotables/isotopapp/templates/sfg.html @@ -0,0 +1,77 @@ + + + + +
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SFG Position Calculator

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+ {{ ans }} +
+ diff --git a/isotables/isotopapp/urls.py b/isotables/isotopapp/urls.py index 2914558..586744b 100644 --- a/isotables/isotopapp/urls.py +++ b/isotables/isotopapp/urls.py @@ -3,6 +3,8 @@ from . import views urlpatterns = [ path('', views.home, name='home'), path('result/', views.result, name='result'), + path('sfg', views.sfg, name='sfg'), + path('position/', views.position, name='position'), ] diff --git a/isotables/isotopapp/views.py b/isotables/isotopapp/views.py index c1dd01e..d8c88ce 100644 --- a/isotables/isotopapp/views.py +++ b/isotables/isotopapp/views.py @@ -1,14 +1,18 @@ +import os from math import pi from io import BytesIO import base64 + +from bokeh.models.axes import LinearAxis from django.shortcuts import render from django.utils.safestring import mark_safe import re + +import numpy as np from bokeh.plotting import figure from bokeh.embed import components -from bokeh.models import Label, Node, MathML - +from bokeh.models import Label, Node, MathML, Range1d, Span from isotopapp.models import Isotope # Create your views here. @@ -17,6 +21,10 @@ def home(request): isotopes = [i for i in Isotope.objects.all() if (i.gamma != 0 or i.stable)] return render(request, 'home.html', {'isotopes': [[f"{i.n_nucleons}{i.symbol}", mark_safe(f"{i.n_nucleons}{i.symbol}")] for i in isotopes],}) +def sfg(request): + isotopes = [i for i in Isotope.objects.all() if (i.gamma != 0 or i.stable)] + return render(request, 'sfg.html', {'isotopes': [[f"{i.n_nucleons}{i.symbol}", mark_safe(f"{i.n_nucleons}{i.symbol}")] for i in isotopes],}) + def extract_isotope_parts(isotope_str): """Extracts the number and element from an isotope string (e.g., '23Na').""" print(isotope_str) @@ -131,3 +139,96 @@ def result(request): else: ans = [] return render(request, 'result.html', {'ans': ans, 'script': script, 'div': div}) + +def position(request): + print(request) + n1, element1 = extract_isotope_parts(request.GET.get('isotope1')) + isotope1 = Isotope.objects.filter(symbol=element1, n_nucleons=n1).get() + print(os.path.abspath(".")) + data = np.loadtxt(request.GET.get('magnet')) + _z_coords = data[:,0] + _fields = data[:,1] + _gradients = data[:,2] + + freq = float(request.GET.get('freq')) + field_T = freq / isotope1.gamma + + sample_diameter = 5e-3 + gradient = float(request.GET.get('gradient')) + # create a plot (bokeh) + + TOOLTIPS = [ + ("index", "$index"), + ("(x,y)", "($x, $y)"), + ("desc", "@desc"), + ] + plot = figure(outer_width=500, outer_height=500, match_aspect=False, tooltips=TOOLTIPS) + frame_left = Node(target="frame", symbol="left", offset=5) + frame_bottom = Node(target="frame", symbol="bottom", offset=0) + frame_top = Node(target="frame", symbol="top", offset=0) + #plot.ellipse(x=[0], y=[0], width=5, height=5, color="#D5D9FF", alpha=0.8, line_width=1, line_color="black") + #plot.ellipse(x=[0], y= [2.5], width=5, height=5, color="#D5D9FF", alpha=0.4, line_width=1, line_color="black") + #plot.ellipse(x=[0], y=[-2.5], width=5, height=5, color="#D5D9FF", alpha=0.4, line_width=1, line_color="black") + plot.xaxis[0].axis_label = 'z in mm' + plot.yaxis[0].axis_label = 'B0 in T' + plot.line(x=_z_coords*1e3, y=_fields, color="navy", line_width=2) + plot.yaxis[0].axis_label_text_color = "navy" + plot.y_range = Range1d(-10, 10) + + + plot.extra_y_ranges['gradient'] = Range1d(-200, 200) + plot.line(x=_z_coords * 1e3, y=_gradients, color="crimson", line_width=2 , y_range_name="gradient") + ax2 = LinearAxis(y_range_name="gradient", axis_label="g in T/m") + ax2.axis_label_text_color = "crimson" + plot.add_layout(ax2, 'left') + + # find fields where _fields == field: + pos_threshold_indices = np.where(np.diff(np.sign(_fields + field_T)) != 0)[0] + neg_threshold_indices = np.where(np.diff(np.sign(_fields - field_T)) != 0)[0] + indices = np.concatenate((pos_threshold_indices, neg_threshold_indices)) + + + for p in indices: + vline = Span(location=_z_coords[p]*1e3, dimension='height', line_color='gray', line_width=1) + plot.renderers.extend([vline]) + label = Label(x=_z_coords[p]*1e3, y=_fields[p]+1, text=f"{_z_coords[p]*1e3:.2f},{_gradients[p]:.1f}T/m", text_baseline="middle", + text_align="center", text_font_size="11pt") + plot.add_layout(label) + plot.circle(x=_z_coords[indices]*1e3, y=_fields[indices], radius=2, color="gray") + plot.circle(x=_z_coords[indices]*1e3, y=_gradients[indices], radius=2, color="gray",y_range_name="gradient" ) + hline1 = Span(location=field_T, dimension='width', line_color='gray', line_width=1) + hline2 = Span(location=-field_T, dimension='width', line_color='gray', line_width=1) + plot.renderers.extend([hline1, hline2]) + + close_isotopes = [] + for isotope in Isotope.objects.all(): + if isotope.gamma == 0: continue + if not isotope.stable: continue + z = (freq/isotope.gamma-field_T)/gradient + if abs(z) <= sample_diameter: + i_info = isotope_info(isotope, field_T) + #i_info[3] = f"{z*1e3:.1f} mm" + close_isotopes.append(i_info) + #plot.rect(x=[0], y=[z*1e3], width=5, height=0.2, color="black", alpha=0.6) + #label = Label(x=2.6, y=z*1e3, text=f"{isotope.n_nucleons}{isotope.symbol}", text_baseline="middle", text_align="left", text_font_size="16pt") + #plot.add_layout(label) + + + citation = Label( + x=frame_left, + y=frame_bottom, + anchor="bottom_left", + text=f"{isotope1.n_nucleons}{isotope1.symbol}: {freq:.1f} MHz\ng={gradient:.1f} T/m\n5 mm sample dia.", + padding=5, + border_radius=5, + border_line_color="#D5D9FF", background_fill_color="white", + ) + plot.add_layout(citation) + + # boke plot + script, div = components(plot) + ans = sorted(close_isotopes, key=lambda x: float(x[3])) + + return render(request, 'posiiton.html', {'ans': ans, 'script': script, 'div': div}) + + diff --git a/isotables/oxford_profile.dat b/isotables/oxford_profile.dat new file mode 100644 index 0000000..ee94a5d --- /dev/null +++ b/isotables/oxford_profile.dat @@ -0,0 +1,1984 @@ +-1.499999999999999944e-02 -2.530923567614552283e+00 1.558875712722661149e+02 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