db.sqlite3 filled with isotopes

This commit is contained in:
Markus Rosenstihl 2025-03-20 22:05:44 +01:00
parent b849274618
commit 0d55853f03
24 changed files with 381 additions and 0 deletions

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isotables/.idea/.gitignore generated vendored Normal file
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# Default ignored files
/shelf/
/workspace.xml
# Editor-based HTTP Client requests
/httpRequests/
# Datasource local storage ignored files
/dataSources/
/dataSources.local.xml

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<component name="InspectionProjectProfileManager">
<settings>
<option name="USE_PROJECT_PROFILE" value="false" />
<version value="1.0" />
</settings>
</component>

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isotables/.idea/isotables.iml generated Normal file
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<?xml version="1.0" encoding="UTF-8"?>
<module type="PYTHON_MODULE" version="4">
<component name="NewModuleRootManager">
<content url="file://$MODULE_DIR$" />
<orderEntry type="jdk" jdkName="Python 3.11 virtualenv at ~/sources/isotopetable/venv" jdkType="Python SDK" />
<orderEntry type="sourceFolder" forTests="false" />
</component>
<component name="TemplatesService">
<option name="TEMPLATE_CONFIGURATION" value="Jinja2" />
<option name="TEMPLATE_FOLDERS">
<list>
<option value="$MODULE_DIR$/isotopapp/templates" />
</list>
</option>
</component>
</module>

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isotables/.idea/misc.xml generated Normal file
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<?xml version="1.0" encoding="UTF-8"?>
<project version="4">
<component name="Black">
<option name="sdkName" value="Python 3.11 virtualenv at ~/sources/isotopetable/venv" />
</component>
<component name="ProjectRootManager" version="2" project-jdk-name="Python 3.11 virtualenv at ~/sources/isotopetable/venv" project-jdk-type="Python SDK" />
</project>

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isotables/.idea/modules.xml generated Normal file
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<?xml version="1.0" encoding="UTF-8"?>
<project version="4">
<component name="ProjectModuleManager">
<modules>
<module fileurl="file://$PROJECT_DIR$/.idea/isotables.iml" filepath="$PROJECT_DIR$/.idea/isotables.iml" />
</modules>
</component>
</project>

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isotables/.idea/vcs.xml generated Normal file
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<?xml version="1.0" encoding="UTF-8"?>
<project version="4">
<component name="VcsDirectoryMappings">
<mapping directory="$PROJECT_DIR$/.." vcs="Git" />
</component>
</project>

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isotables/db.sqlite3 Normal file

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isotables/fill_table.py Normal file
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import os
os.environ['DJANGO_SETTINGS_MODULE'] ='isotables.settings'
import django
django.setup()
from isotopapp.models import Isotope
with open("../isotopetable.dat") as f:
for line in f:
if line.startswith("%") or line.startswith("proton"): continue
print(line)
a,b,c,d,e,f,g,h,i = line.split()
iso = Isotope.objects.create(
n_protons=int(a),
n_nucleons = int(b),
stable = True if c=="-" else False,
symbol = d,
name = e,
spin_quantum_number = float(f),
gamma = float(g)*7.622593285, # MHz/T
natural_abundance = float(h),
)
if i == "NaN":
iso.quadrupole_moment = float(i)
iso.save()

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"""
ASGI config for isotables project.
It exposes the ASGI callable as a module-level variable named ``application``.
For more information on this file, see
https://docs.djangoproject.com/en/5.1/howto/deployment/asgi/
"""
import os
from django.core.asgi import get_asgi_application
os.environ.setdefault('DJANGO_SETTINGS_MODULE', 'isotables.settings')
application = get_asgi_application()

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"""
Django settings for isotables project.
Generated by 'django-admin startproject' using Django 5.1.6.
For more information on this file, see
https://docs.djangoproject.com/en/5.1/topics/settings/
For the full list of settings and their values, see
https://docs.djangoproject.com/en/5.1/ref/settings/
"""
from pathlib import Path
# Build paths inside the project like this: BASE_DIR / 'subdir'.
BASE_DIR = Path(__file__).resolve().parent.parent
# Quick-start development settings - unsuitable for production
# See https://docs.djangoproject.com/en/5.1/howto/deployment/checklist/
# SECURITY WARNING: keep the secret key used in production secret!
SECRET_KEY = 'django-insecure-3w!#8kidc1=!ehn_@b$*d@w-h!p(d(gm$*68i!9u%u#i-89=$@'
# SECURITY WARNING: don't run with debug turned on in production!
DEBUG = True
ALLOWED_HOSTS = []
# Application definition
INSTALLED_APPS = [
'django.contrib.admin',
'django.contrib.auth',
'django.contrib.contenttypes',
'django.contrib.sessions',
'django.contrib.messages',
'django.contrib.staticfiles',
'isotopapp',
]
MIDDLEWARE = [
'django.middleware.security.SecurityMiddleware',
'django.contrib.sessions.middleware.SessionMiddleware',
'django.middleware.common.CommonMiddleware',
'django.middleware.csrf.CsrfViewMiddleware',
'django.contrib.auth.middleware.AuthenticationMiddleware',
'django.contrib.messages.middleware.MessageMiddleware',
'django.middleware.clickjacking.XFrameOptionsMiddleware',
]
ROOT_URLCONF = 'isotables.urls'
TEMPLATES = [
{
'BACKEND': 'django.template.backends.django.DjangoTemplates',
'DIRS': [],
'APP_DIRS': True,
'OPTIONS': {
'context_processors': [
'django.template.context_processors.debug',
'django.template.context_processors.request',
'django.contrib.auth.context_processors.auth',
'django.contrib.messages.context_processors.messages',
],
},
},
]
WSGI_APPLICATION = 'isotables.wsgi.application'
# Database
# https://docs.djangoproject.com/en/5.1/ref/settings/#databases
DATABASES = {
'default': {
'ENGINE': 'django.db.backends.sqlite3',
'NAME': BASE_DIR / 'db.sqlite3',
}
}
# Password validation
# https://docs.djangoproject.com/en/5.1/ref/settings/#auth-password-validators
AUTH_PASSWORD_VALIDATORS = [
{
'NAME': 'django.contrib.auth.password_validation.UserAttributeSimilarityValidator',
},
{
'NAME': 'django.contrib.auth.password_validation.MinimumLengthValidator',
},
{
'NAME': 'django.contrib.auth.password_validation.CommonPasswordValidator',
},
{
'NAME': 'django.contrib.auth.password_validation.NumericPasswordValidator',
},
]
# Internationalization
# https://docs.djangoproject.com/en/5.1/topics/i18n/
LANGUAGE_CODE = 'en-us'
TIME_ZONE = 'UTC'
USE_I18N = True
USE_TZ = True
# Static files (CSS, JavaScript, Images)
# https://docs.djangoproject.com/en/5.1/howto/static-files/
STATIC_URL = 'static/'
# Default primary key field type
# https://docs.djangoproject.com/en/5.1/ref/settings/#default-auto-field
DEFAULT_AUTO_FIELD = 'django.db.models.BigAutoField'

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"""
URL configuration for isotables project.
The `urlpatterns` list routes URLs to views. For more information please see:
https://docs.djangoproject.com/en/5.1/topics/http/urls/
Examples:
Function views
1. Add an import: from my_app import views
2. Add a URL to urlpatterns: path('', views.home, name='home')
Class-based views
1. Add an import: from other_app.views import Home
2. Add a URL to urlpatterns: path('', Home.as_view(), name='home')
Including another URLconf
1. Import the include() function: from django.urls import include, path
2. Add a URL to urlpatterns: path('blog/', include('blog.urls'))
"""
from django.contrib import admin
from django.urls import path, include
urlpatterns = [
path('admin/', admin.site.urls),
path('', include('isotopapp.urls')),
]

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"""
WSGI config for isotables project.
It exposes the WSGI callable as a module-level variable named ``application``.
For more information on this file, see
https://docs.djangoproject.com/en/5.1/howto/deployment/wsgi/
"""
import os
from django.core.wsgi import get_wsgi_application
os.environ.setdefault('DJANGO_SETTINGS_MODULE', 'isotables.settings')
application = get_wsgi_application()

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from django.contrib import admin
# Register your models here.

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from django.apps import AppConfig
class IsotopappConfig(AppConfig):
default_auto_field = 'django.db.models.BigAutoField'
name = 'isotopapp'

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from django.db import models
# Create your models here.
class Isotope(models.Model):
n_protons = models.IntegerField()
n_nucleons = models.IntegerField()
stable = models.BooleanField()
symbol = models.CharField(max_length=2)
name = models.CharField(max_length=255)
spin_quantum_number = models.FloatField()
gamma = models.FloatField() # MHz/T
natural_abundance = models.FloatField()
quadrupole_moment = models.FloatField(null=True)

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<div class="center">
<h1>Basic Calculator</h1>
<form action="result">
<input type="number" name="number1" placeholder="Enter first number">
<br>
<br>
<input type="number" name="number2" placeholder="Enter second number">
<br>
<br>
<button type="submit" name="add">Add</button>
<button type="submit" name="subtract">Subtract</button>
<button type="submit" name="multiply">Multiply</button>
<button type="submit" name="divide">Divide</button>
</form>
</div>
<style>
.center {
margin: auto;
width: 60%;
border: 3px solid #a5addb;
padding: 10px;
}
</style>

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<div class="center">
The result is:
<h1>{{ans}}</h1>
<a href="{% url 'home' %}">Go Back</a>
</div>
<style>
.center {
margin: auto;
width: 60%;
border: 3px solid #a5addb;
padding: 10px;
}
</style>

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from django.test import TestCase
# Create your tests here.

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from django.urls import path
from . import views
urlpatterns = [
path('', views.home, name='home'),
path('result/', views.result, name='result'),
]

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from django.shortcuts import render
# Create your views here.
def home(request):
return render(request, 'home.html')
def result(request):
num1 = int(request.GET.get('number1'))
num2 = int(request.GET.get('number2'))
if request.GET.get('add') == "":
ans = num1 + num2
elif request.GET.get('subtract') == "":
ans = num1 - num2
elif request.GET.get('multiply') == "":
ans = num1 * num2
else:
ans = num1 / num2
return render(request, 'result.html', {'ans': ans})

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isotables/manage.py Executable file
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#!/usr/bin/env python
"""Django's command-line utility for administrative tasks."""
import os
import sys
def main():
"""Run administrative tasks."""
os.environ.setdefault('DJANGO_SETTINGS_MODULE', 'isotables.settings')
try:
from django.core.management import execute_from_command_line
except ImportError as exc:
raise ImportError(
"Couldn't import Django. Are you sure it's installed and "
"available on your PYTHONPATH environment variable? Did you "
"forget to activate a virtual environment?"
) from exc
execute_from_command_line(sys.argv)
if __name__ == '__main__':
main()

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requirements.txt Normal file
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Django==5.1.6