How to use _interpolate method in molecule
Best Python code snippet using molecule_python
fabfile.py
Source:fabfile.py 
...75 env.project['environment'] = environment76def _require_environment():77 """Checks if env.environment and env.host exist"""78 require('environment', 'host', provided_by=ENVS.keys())79def _interpolate(string):80 """Interpolates string with dictionary provided by ENVS"""81 return string % env.project82def _parse_alias(command):83 """84 Mimics a bash alias: if command starts with a word that is present in ALIASES85 dictionary, substitutes that word for the value found, and maintains the rest.86 """87 words = command.split(' ')88 if not words or words[0] not in ALIASES.keys():89 return command90 else:91 return '%s %s' % (ALIASES[words[0]], ' '.join(words[1:]))92def _generate_conf(conf_file, variables, django_version):93 """Generates conf file from template, and optionally saves it"""94 if not django_version:95 django_version = DJANGO_LATEST_VERSION96 # File names97 part = conf_file.split('.')98 input_file = os.path.join(templates_dir, '%s_django%s.%s' % (part[0], django_version, part[1]))99 output_file = '%s/%s_%s.%s' % (env.project['project'], part[0], env.environment, part[1])100 # Generate conf file from template101 conf = ''102 output = io.StringIO()103 try:104 with open(input_file, 'r') as input:105 for line in input:106 output.write(line % variables)107 conf = output.getvalue()108 finally:109 output.close()110 # Shows conf file and optionally saves it111 print(conf)112 if console.confirm('Save to %s?' % output_file, default=False):113 with open(output_file, 'w') as output:114 output.write(conf)115###########116# Vagrant #117###########118def _vagrant():119 """(work in progress)"""120 # change from the default user to 'vagrant'121 env.user = 'vagrant'122 # connect to the port-forwarded ssh123 env.hosts = ['127.0.0.1:2222']124 # use vagrant ssh key125 result = local('vagrant ssh_config | grep IdentityFile', capture=True)126 env.key_filename = result.split()[1]127##################128# Linux commands #129##################130def adduser(username, password):131 """Creates remote user (with required username/password) and uploads ~/.ssh/id_rsa.pub as authorized_keys"""132 _require_environment()133 # New user to be created134 env.remote_user = username135 env.remote_password = password136 env.remote_home = '/home/%(remote_user)s' % env137 # Needs to connect as root (or sudoer)138 env.user = prompt('Remote root or sudoer?', default=env.user)139 env.password = None140 # Creates user, if it doesn't exist already141 if files.exists(env.remote_home):142 print('User %(remote_user)s already exists on %(environment)s!' % env)143 else:144 sudo('useradd -d%(remote_home)s -s/bin/bash -m -U %(remote_user)s' % env)145 sudo('echo "%(remote_user)s:%(remote_password)s" | sudo chpasswd' % env)146 # TODO: not all distributions use group sudo for sudoers (e.g.: old Ubuntu uses admin)147 # TODO: sudoers should not have to use password148 sudo('adduser %(remote_user)s sudo' % env)149 sudo('mkdir %(remote_home)s/.ssh' % env)150 put('~/.ssh/id_rsa.pub', '%(remote_home)s/.ssh/authorized_keys' % env, use_sudo=True, mode=0o644)151 sudo('chown -R %(remote_user)s:%(remote_user)s %(remote_home)s/.ssh' % env)152 # Continues as newly created user153 env.user = env.remote_user154 env.password = None155def install_git():156 """Installs (most recent) git from source"""157 local_git_version = sudo(LOCAL_GIT_VERSION)158 newest_git_version = run(NEWEST_GIT_VERSION)159 if local_git_version != newest_git_version:160 git_file = 'git-%s' % newest_git_version161 apt_get_update()162 sudo('apt-get -y -qq install build-essential')163 sudo('apt-get -y -qq install git-core')164 sudo('apt-get -y -qq install libcurl4-gnutls-dev')165 sudo('apt-get -y -qq install libexpat1-dev')166 sudo('apt-get -y -qq install gettext')167 sudo('apt-get -y -qq install libz-dev')168 sudo('apt-get -y -qq install libssl-dev')169 sudo('wget --quiet https://www.kernel.org/pub/software/scm/git/%s.tar.gz' % git_file)170 sudo('tar -xzf %s.tar.gz' % git_file)171 with cd(git_file):172 sudo('make --silent prefix=/usr/local all > /dev/null')173 sudo('make --silent prefix=/usr/local install > /dev/null')174def apt_get_update():175 """Updates apt-get repositories, if needed"""176 temp_dir = run('echo ${TMPDIR:-"/tmp/"}')177 temp_file = os.path.join(temp_dir, 'apt-get-update-done')178 today = datetime.date.today().strftime('%d/%m/%y')179 if files.exists(temp_file):180 last_date_run = run('cat %s' % temp_file)181 else:182 last_date_run = ''183 if last_date_run != today:184 sudo('apt-get update')185 run('echo %s > %s' % (today, temp_file))186def hostname(name):187 """Updates server /etc/hosts and /etc/hostname"""188 files.sed('/etc/hosts', '.*', '127.0.0.1 %s' % name, limit='^127.0.0.1 ', use_sudo=True)189 sudo('mv /etc/hostname /etc/hostname.bak && echo %s > /etc/hostname' % name)190 sudo('hostname %s' % name)191def check_cpu():192 """Check CPU usage"""193 with settings(warn_only=True):194 run('mpstat')195 run('ps -eo pcpu,pid,user,args | sort -k 1 -r | head -10')196def check_memory():197 """Check memory usage"""198 with settings(warn_only=True):199 run('free -m')200def check_disk():201 """Check disk usage"""202 with settings(warn_only=True):203 run('df -h')204def check_io():205 """Check I/O statistics"""206 with settings(warn_only=True):207 run('iostat')208##################209# MySQL commands #210##################211def install_mysql():212 """Installs MySQL"""213 password = prompt('Password for MySQL root?', default='')214 apt_get_update()215 sudo('DEBIAN_FRONTEND=noninteractive apt-get -y -qq install mysql-server libmysqlclient-dev')216 with settings(warn_only=True):217 sudo('mysqladmin -u root password %s' % password)218 sudo(MYSQL_PREFIX % "\"ALTER USER 'root'@'localhost' IDENTIFIED WITH mysql_native_password BY '%s';\"" % password)219def _get_database_name():220 """Gets database dictionary either from ENVS or form Django settings.py"""221 _require_environment()222 database = env.project.get('database', None)223 if not database:224 django.settings_module(_interpolate('%(project)s.%(settings)s'))225 database = django_settings.DATABASES['default']226 return database227def _database_exists():228 """Checks for existence of database"""229 _require_environment()230 database = _get_database_name()231 with settings(hide('warnings'), warn_only=True):232 result = run(MYSQL_PREFIX % "\"SHOW DATABASES LIKE '%(NAME)s';\"" % database)233 if database['NAME'] in result:234 return True235 else:236 print('Database %(NAME)s does not exist' % database)237 return False238def drop_database():239 """CAREFUL! - Destroys (DROP) MySQL database according to env's settings.py"""240 _require_environment()241 database = _get_database_name()242 if _database_exists():243 if console.confirm('ATTENTION! This will destroy current database! Confirm?', default=False):244 with settings(hide('warnings'), warn_only=True):245 result = run(MYSQL_PREFIX % "\"DROP DATABASE %(NAME)s;\"" % database)246def create_database():247 """Creates MySQL database according to env's settings.py, if not already there"""248 database = _get_database_name()249 with settings(hide('warnings'), warn_only=True):250 result = run(MYSQL_PREFIX % "\"CREATE DATABASE %(NAME)s DEFAULT CHARACTER SET utf8;\"" % database)251 if result.succeeded:252 run(MYSQL_PREFIX % "\"GRANT ALL ON %(NAME)s.* TO '%(USER)s'@'localhost' IDENTIFIED BY '%(PASSWORD)s';\"" % database)253 run(MYSQL_PREFIX % "\"ALTER USER '%(USER)s'@'localhost' IDENTIFIED WITH mysql_native_password BY '%(PASSWORD)s';\"" % database)254def backup_database():255 """256 Backup server's database and copy tar.gz to local ../backup dir257 """258 _require_environment()259 database = _get_database_name()260 with prefix(_django_prefix()):261 with cd(_django_project_dir()):262 # Creates dir to store backup, avoiding existing similar names263 dirname = '../backup/%s_%s' % (datetime.date.today().strftime('%Y%m%d'), env.environment)264 path = dirname265 index = 0266 while files.exists(path) or files.exists('%s.tar.gz' % path):267 index += 1268 path = '%s.%s' % (dirname, index)269 run('mkdir -p %s' % path)270 # Backup MySQL271 run('mysqldump %s -u %s -p%s %s > %s/%s.sql' % (272 '-h %s' % database['HOST'] if database.get('HOST', None) else '',273 database['USER'],274 database['PASSWORD'],275 database['NAME'],276 path,277 env.project['project'],278 ))279 # Backup extra files280 extra_backup_files = env.project.get('extra_backup_files', [])281 for file in extra_backup_files:282 run('cp -R %s %s/' % (file, path))283 # Create .tar.gz and removes uncompressed files284 with hide('stdout'):285 run('tar -czvf %s.tar.gz %s/' % (path, path))286 run('rm -rf %s/' % path)287 # Download backup?288 if console.confirm('Download backup?'):289 return get('%s.tar.gz' % path, '../backup')290def restore_database(filename):291 """292 Restore server's database with .sql file contained in filename293 """294 _require_environment()295 database = _get_database_name()296 with prefix(_django_prefix()):297 with cd(_django_project_dir()):298 # Uploads tar file299 tarfile = os.path.basename(filename)300 basename = tarfile[:tarfile.index('.tar.gz')]301 if console.confirm('Upload backup?'):302 put(filename, '../backup/%s' % tarfile)303 # Drop and recreate current database304 drop_database()305 create_database()306 # Restore MySQL307 # To avoid silly mistakes, instead of using project's user & password, uses root's308 with cd('../'):309 run('tar -xzvf backup/%s' % tarfile)310 run('mysql -u root -p %s < backup/%s/%s.sql' % (311 #database['USER'],312 #database['PASSWORD'],313 database['NAME'],314 basename,315 env.project['project'],316 ))317 # Restore extra files318 extra_backup_files = env.project.get('extra_backup_files', [])319 for file in extra_backup_files:320 run('cp -R ../backup/%s/%s ./%s' % (basename, os.path.basename(file), os.path.dirname(file)))321 # Removes uncompressed files, but leaves .tar.gz322 run('rm -rf ../backup/%s' % basename)323###################324# Apache commands #325###################326def install_apache():327 """Installs Apache and mod_wsgi"""328 apt_get_update()329 sudo ('apt-get -y -qq install apache2 apache2-mpm-worker libapache2-mod-wsgi')330def setup_apache():331 """Configures Apache"""332 if files.exists(_interpolate('/etc/apache2/sites-enabled/%(virtualenv)s.conf')):333 print('Apache conf for %(environment)s already exists' % env)334 else:335 sudo(_interpolate('ln -s %s /etc/apache2/sites-enabled/%%(virtualenv)s.conf' % APACHE_CONF))336 sudo('apache2ctl restart')337def generate_apache_conf(django_version=None):338 """Generates Apache conf file. Requires: path to WSGI conf file."""339 _require_environment()340 site_packages_dir = '%s/%s' % (_interpolate(VIRTUALENV_DIR), SITE_PACKAGES_DIR % _get_python_version())341 config_dir = _interpolate(CONFIG_DIR)342 host_aliases = env.project.get('host_aliases', '')343 if host_aliases:344 host_aliases = 'ServerAlias %s' % host_aliases345 _generate_conf('apache.conf', {346 'host': env.project['host'],347 'host_aliases': host_aliases,348 'site_packages_dir': site_packages_dir,349 'static_admin_dir': '%s/django/contrib/admin/media' % site_packages_dir,350 'project_dir': _interpolate(DJANGO_PROJECT_DIR),351 'media_dir': _interpolate(MEDIA_DIR),352 'static_dir': _interpolate(STATIC_DIR),353 'config_dir': config_dir,354 'wsgi_file': 'wsgi_%s.py' % env.environment,355 }, django_version)356def generate_wsgi_conf(django_version=None):357 """Generates WSGI conf file"""358 _require_environment()359 _generate_conf('wsgi.py', {360 'project': env.project['project'],361 'settings': env.project['settings'],362 'site_packages': SITE_PACKAGES_DIR % _get_python_version(),363 }, django_version)364 local(_interpolate('cp %(project)s/wsgi_%(environment)s.py %(project)s/wsgi.py'))365def apache_restart():366 """367 Restarts Apache368 """369 _require_environment()370 sudo('apache2ctl restart')371###################372# Python commands #373###################374def install_python():375 """Installs Python 2.7, setuptools, pip, virtualenv, virtualenvwrapper"""376 _require_environment()377 # TODO: Install Python from source, regardless of Linux distribution378 apt_get_update()379 sudo('apt-get -y -qq install python python2.7 python2.7-dev pkg-config gcc')380 sudo('apt-get -y -qq install python-setuptools python-bs4')381 sudo('easy_install pip')382 sudo('pip install virtualenv')383 sudo('pip install virtualenvwrapper')384 with settings(warn_only=True):385 sudo(_interpolate('mkdir -p %(workon)s'))386 sudo(_interpolate('chmod g+w %(workon)s'))387 sudo(_interpolate('chown %%(user)s:%%(user)s %(workon)s') % env)388def _get_python_version():389 """Checks python version on remote virtualenv"""390 with settings(hide('commands', 'warnings'), warn_only=True):391 # First tries to check python within virtualenv392 with prefix(_django_prefix()):393 result = run(GET_PYTHON_VERSION)394 # If that fails, checks global python395 if result.failed:396 result = run(GET_PYTHON_VERSION)397 # if it still fails, something is wrong!398 if result.failed:399 abort(_interpolate('Could not determine Python version at virtualenv %(virtualenv)s'))400 return result401def _virtualenvwrapper_prefix():402 """Prefix to be able to invoke virtualenvwrapper commands"""403 return VIRTUALENVWRAPPER_PREFIX % {404 'workon': env.project['workon'],405 'script': VIRTUALENVWRAPPER_SCRIPT,406 }407def _setup_virtualenv():408 """Creates virtualenv for environment"""409 if files.exists(_interpolate(VIRTUALENV_DIR)):410 print(_interpolate('virtualenv %(virtualenv)s already exists'))411 else:412 with prefix(_virtualenvwrapper_prefix()):413 run(_interpolate('mkvirtualenv --no-site-packages %(virtualenv)s'))414 with hide('commands'):415 print('virtualenv %s created with python %s\n' % (env.project['virtualenv'], run(GET_PYTHON_VERSION)))416def python_version():417 """Tries to figure out Python version on server side"""418 _require_environment()419 print('Python version on virtualenv %s: %s' % (env.project['virtualenv'], _get_python_version()))420#############################421# (Django) project commands #422#############################423def _django_prefix():424 """Prefix to wrap commands with necessary virtualenv and variables"""425 return _interpolate(DJANGO_PREFIX)426def _django_project_dir():427 """Path to current project' directory"""428 return _interpolate(DJANGO_PROJECT_DIR)429def _clone_gitrepo():430 """Clones project git repo into virtualenv"""431 # Puts git repo in ~/.ssh/config to avoid interaction due to missing known_hosts432 git_server = urllib.splituser(urllib.splittype(env.project['git_repo'])[0])[1]433 if not files.exists('~/.ssh/config') or not files.contains('~/.ssh/config', git_server):434 files.append('~/.ssh/config', ['host %s' % git_server, ' StrictHostKeyChecking no'])435 branch = env.project.get('git_branch', 'master')436 if files.exists(_interpolate(DJANGO_PROJECT_DIR)):437 print(_interpolate('project %(project)s already exists, updating'))438 remote('git pull origin %s' % branch)439 else:440 with cd(_interpolate(VIRTUALENV_DIR)):441 run(_interpolate('git clone %(git_repo)s %(project)s'))442 if branch != 'master':443 remote('git fetch origin %s:%s' % (branch, branch))444 remote('git checkout %s' % branch)445def extra_commands():446 """Issue commands contained in env.project['EXTRA_COMMANDS']"""447 _require_environment()448 extra_commands = env.project.get('extra_commands', [])449 with settings(hide('warnings'), warn_only=True):450 for command in extra_commands:451 remote(command)452def remote(command):453 """Issues a generic command at project's directory level"""454 _require_environment()455 with prefix(_django_prefix()):456 with cd(_django_project_dir()):457 if command.startswith('sudo '):458 sudo(_parse_alias(command[5:]))459 else:460 run(_parse_alias(command))461def setup_project():462 """Sets up a new environment"""463 _require_environment()464 # Checks if needed conf files for this environment already exist465 settings_file = _interpolate('%(project)s/%(settings)s.py')466 apache_file = _interpolate('%(project)s/apache_%(environment)s.conf')467 wsgi_file = _interpolate('%(project)s/wsgi_%(environment)s.py')468 if not os.path.exists(settings_file):469 abort('There is no %s - create one, and commit' % settings_file)470 if not os.path.exists(apache_file):471 abort('There is no Apache conf %s - use task "generate_apache_conf" to generate one, and commit' % apache_file)472 if not os.path.exists(wsgi_file):473 abort('There is no WSGI conf %s - use task "generate_wsgi_conf" to generate one, and commit' % wsgi_file)474 # Configures virtualenv and clones git repo475 _setup_virtualenv()476 _clone_gitrepo()477 # Issues extra commands at project's level, if any478 extra_commands()479 # Sets up Apache, MySQL480 setup_apache()481 if _database_exists():482 database = _get_database_name()483 print('Database %(NAME)s already exists' % database)484 else:485 drop_database()486 create_database()487 # Install Python packages & Django488 pip_install()489 update_project()490def pip_install():491 """Uses pip to install needed requirements"""492 _require_environment()493 remote(_interpolate(PIP_INSTALL_PREFIX))494def touch_project():495 """Touches WSGI file to reset Apache"""496 remote(_interpolate('touch %s' % WSGI_CONF))497def status_project():498 """Checks git log and status"""499 remote('glogg -n 20 && echo "" && git status')500def update_project():501 """Updates server from git pull"""502 _require_environment()503 # Grants write rights on log dir for the admin group504 log_dir = '%s/log' % _interpolate(VIRTUALENV_DIR)505 if files.exists(log_dir):506 sudo('chmod -R g+w %s' % log_dir)507 # Updates from git, issues Django syncdb, South migrate, Collecstatic and resets Apache508 branch = env.project.get('git_branch', 'master')509 with prefix(_django_prefix()):510 with cd(_django_project_dir()):511 with settings(hide('warnings'), warn_only=True):512 run('git fetch origin %s:%s' % (branch, branch))513 run('git checkout %s' % branch)514 with settings(hide('warnings'), warn_only=True):515 run('git pull origin %s' % branch)516 # run('django-admin.py syncdb') deprecated since Django 1.9517 run('django-admin.py migrate')518 run(_interpolate('touch %s' % WSGI_CONF))519 run('django-admin.py collectstatic --noinput')520def check_log():521 """Tails Django log"""522 _require_environment()523 with prefix(_django_prefix()):524 with cd(_django_project_dir()):525 logfile = '../log/%s.log' % env.project['project']526 run('tail -100f %s' % logfile)527def find_in_log(string):528 """Finds string parameter in Django logs"""529 _require_environment()530 with prefix(_django_prefix()):531 with cd(_django_project_dir()):532 run('grep -i %s ../log/*' % string)...
iii_v_zinc_blende_mixed_alloy.py
Source:iii_v_zinc_blende_mixed_alloy.py
...30 Used to specify the alloy composition.31 '''32 raise NotImplementedError()33 34 def _interpolate(self, name, kwargs):35 raise NotImplementedError()36 37 @method_parameter(dependencies=['Delta_SO'],38 units='eV')39 def Delta_SO(self, **kwargs):40 return self._interpolate('Delta_SO', kwargs)41 42 @method_parameter(dependencies=['Eg_Gamma'],43 units='eV')44 def Eg_Gamma(self, **kwargs):45 return self._interpolate('Eg_Gamma', kwargs)46 47 @method_parameter(dependencies=['Eg_L'],48 units='eV')49 def Eg_L(self, **kwargs):50 return self._interpolate('Eg_L', kwargs)51 52 @method_parameter(dependencies=['Eg_X'],53 units='eV')54 def Eg_X(self, **kwargs):55 return self._interpolate('Eg_X', kwargs)56 57 @method_parameter(dependencies=['Ep'],58 units='eV', references=[vurgaftman_2001])59 def Ep(self, **kwargs):60 '''61 Linear interpolation is recommended for alloys.62 '''63 return self._interpolate('Ep', kwargs)64 65 @method_parameter(dependencies=['F'],66 units='dimensionless', references=[vurgaftman_2001])67 def F(self, **kwargs):68 '''69 Linear interpolation is recommended for alloys.70 '''71 return self._interpolate('F', kwargs)72 73 @method_parameter(dependencies=['VBO'],74 units='eV')75 def VBO(self, **kwargs):76 return self._interpolate('VBO', kwargs)77 @method_parameter(dependencies=['a_300K'],78 units='angstrom')79 def a_300K(self, **kwargs):80 '''81 Returns the lattice parameter, a, in Angstroms at 300 K.82 '''83 return self._interpolate('a_300K', kwargs)84 85 @method_parameter(dependencies=['a_c'],86 units='eV')87 def a_c(self, **kwargs):88 return self._interpolate('a_c', kwargs)89 90 @method_parameter(dependencies=['a_v'],91 units='eV')92 def a_v(self, **kwargs):93 return self._interpolate('a_v', kwargs)94 95 @method_parameter(dependencies=['b'],96 units='eV')97 def b(self, **kwargs):98 return self._interpolate('b', kwargs)99 100 @method_parameter(dependencies=['c11'],101 units='eV')102 def c11(self, **kwargs):103 return self._interpolate('c11', kwargs)104 105 @method_parameter(dependencies=['c12'],106 units='eV')107 def c12(self, **kwargs):108 return self._interpolate('c12', kwargs)109 110 @method_parameter(dependencies=['c44'],111 units='eV')112 def c44(self, **kwargs):113 return self._interpolate('c44', kwargs)114 115 @method_parameter(dependencies=['d'],116 units='eV')117 def d(self, **kwargs):118 return self._interpolate('d', kwargs)119 120 @method_parameter(dependencies=['dielectric'],121 units='dimensionless')122 def dielectric(self, **kwargs):123 return self._interpolate('dielectric', kwargs)124 125 @method_parameter(dependencies=['dielectric_high_frequency'],126 units='dimensionless')127 def dielectric_high_frequency(self, **kwargs):128 return self._interpolate('dielectric_high_frequency', kwargs)129 130 @method_parameter(dependencies=['meff_hh_100', 'meff_lh_100'],131 units='dimensionless')132 def luttinger1(self, **kwargs):133 return ((1. / self.meff_lh_100(**kwargs) +134 1. / self.meff_hh_100(**kwargs) ) / 2.)135 136 @method_parameter(dependencies=['meff_hh_100', 'meff_lh_100'],137 units='dimensionless')138 def luttinger2(self, **kwargs):139 return ((1. / self.meff_lh_100(**kwargs) -140 1. / self.meff_hh_100(**kwargs) ) / 4.)141 142 @method_parameter(dependencies=['luttinger2', 'luttinger32'],143 units='dimensionless')144 def luttinger3(self, **kwargs):145 return self.luttinger32(**kwargs) + self.luttinger2(**kwargs)146 147 @method_parameter(dependencies=['luttinger32'],148 units='dimensionless')149 def luttinger32(self, **kwargs):150 '''151 Returns the difference between the third and second Luttinger152 parameters, i.e. `luttinger3 - luttinger2`.153 154 Linear interpolation of luttinger32 is the recommended way to155 estimate the valance band warping in alloys.156 '''157 return self._interpolate('luttinger32', kwargs)158 159 @method_parameter(dependencies=['meff_e_L_DOS'],160 units='m_e', references=[vurgaftman_2001])161 def meff_e_L_DOS(self, **kwargs):162 '''163 Linear interpolation of meff_e_L_DOS is recommended for alloys.164 '''165 return self._interpolate('meff_e_L_DOS', kwargs)166 167 @method_parameter(dependencies=['meff_e_L_long'],168 units='m_e', references=[vurgaftman_2001])169 def meff_e_L_long(self, **kwargs):170 '''171 Linear interpolation of meff_e_L_long is recommended for alloys.172 '''173 return self._interpolate('meff_e_L_long', kwargs)174 175 @method_parameter(dependencies=['meff_e_L_trans'],176 units='m_e', references=[vurgaftman_2001])177 def meff_e_L_trans(self, **kwargs):178 '''179 Linear interpolation of meff_e_L_trans is recommended for alloys.180 '''181 return self._interpolate('meff_e_L_trans', kwargs)182 183 @method_parameter(dependencies=['meff_e_X_DOS'],184 units='m_e', references=[vurgaftman_2001])185 def meff_e_X_DOS(self, **kwargs):186 '''187 Linear interpolation of meff_e_X_DOS is recommended for alloys.188 '''189 return self._interpolate('meff_e_X_DOS', kwargs)190 191 @method_parameter(dependencies=['meff_e_X_long'],192 units='m_e', references=[vurgaftman_2001])193 def meff_e_X_long(self, **kwargs):194 '''195 Linear interpolation of meff_e_X_long is recommended for alloys.196 '''197 return self._interpolate('meff_e_X_long', kwargs)198 199 @method_parameter(dependencies=['meff_e_X_trans'],200 units='m_e', references=[vurgaftman_2001])201 def meff_e_X_trans(self, **kwargs):202 '''203 Linear interpolation of meff_e_X_trans is recommended for alloys.204 '''205 return self._interpolate('meff_e_X_trans', kwargs)206 207 @method_parameter(dependencies=['meff_hh_100'], units='m_e')208 def meff_hh_100(self, **kwargs):209 '''210 Returns the light-hole band effective mass in the [100] direction,211 meff_hh_100, in units of electron mass.212 Linear interpolation of meff_hh_100 is recommended for alloys.213 '''214 return self._interpolate('meff_hh_100', kwargs)215 216 @method_parameter(dependencies=['meff_lh_100'], units='m_e')217 def meff_lh_100(self, **kwargs):218 '''219 Returns the heavy-hole band effective mass in the [100] direction,220 meff_hh_100, in units of electron mass.221 Linear interpolation of meff_lh_100 is recommended for alloys.222 '''223 return self._interpolate('meff_lh_100', kwargs)224 225 @method_parameter(dependencies=['meff_SO'],226 units='m_e', references=[vurgaftman_2001])227 def meff_SO(self, **kwargs):228 '''229 Linear interpolation of meff_SO is recommended for alloys.230 '''231 return self._interpolate('meff_SO', kwargs)232 @method_parameter(dependencies=['thermal_expansion'],233 units='angstrom/K')234 def thermal_expansion(self, **kwargs):235 '''236 Returns the thermal expansion coefficient.237 '''...
interpolate_wrapper.py
Source:interpolate_wrapper.py
1""" helper_funcs.py.2 scavenged from enthought,interpolate3"""4from __future__ import division, print_function, absolute_import5import numpy as np6from . import _interpolate # C extension. Does all the real work.7def atleast_1d_and_contiguous(ary, dtype = np.float64):8 return np.atleast_1d( np.ascontiguousarray(ary, dtype) )9def nearest(x, y, new_x):10 """11 Rounds each new x to nearest input x and returns corresponding input y.12 Parameters13 ----------14 x : array_like15 Independent values.16 y : array_like17 Dependent values.18 new_x : array_like19 The x values to return the interpolate y values.20 Returns21 -------22 nearest : ndarray23 Rounds each `new_x` to nearest `x` and returns the corresponding `y`.24 """25 shifted_x = np.concatenate(( np.array([x[0]-1]) , x[0:-1] ))26 midpoints_of_x = atleast_1d_and_contiguous( .5*(x + shifted_x) )27 new_x = atleast_1d_and_contiguous(new_x)28 TINY = 1e-1029 indices = np.searchsorted(midpoints_of_x, new_x+TINY)-130 indices = np.atleast_1d(np.clip(indices, 0, np.Inf).astype(np.int))31 new_y = np.take(y, indices, axis=-1)32 return new_y33def linear(x, y, new_x):34 """35 Linearly interpolates values in new_x based on the values in x and y36 Parameters37 ----------38 x : array_like39 Independent values40 y : array_like41 Dependent values42 new_x : array_like43 The x values to return the interpolated y values.44 """45 x = atleast_1d_and_contiguous(x, np.float64)46 y = atleast_1d_and_contiguous(y, np.float64)47 new_x = atleast_1d_and_contiguous(new_x, np.float64)48 if y.ndim > 2:49 raise ValueError("`linear` only works with 1-D or 2-D arrays.")50 if len(y.shape) == 2:51 new_y = np.zeros((y.shape[0], len(new_x)), np.float64)52 for i in range(len(new_y)): # for each row53 _interpolate.linear_dddd(x, y[i], new_x, new_y[i])54 else:55 new_y = np.zeros(len(new_x), np.float64)56 _interpolate.linear_dddd(x, y, new_x, new_y)57 return new_y58def logarithmic(x, y, new_x):59 """60 Linearly interpolates values in new_x based in the log space of y.61 Parameters62 ----------63 x : array_like64 Independent values.65 y : array_like66 Dependent values.67 new_x : array_like68 The x values to return interpolated y values at.69 """70 x = atleast_1d_and_contiguous(x, np.float64)71 y = atleast_1d_and_contiguous(y, np.float64)72 new_x = atleast_1d_and_contiguous(new_x, np.float64)73 if y.ndim > 2:74 raise ValueError("`linear` only works with 1-D or 2-D arrays.")75 if len(y.shape) == 2:76 new_y = np.zeros((y.shape[0], len(new_x)), np.float64)77 for i in range(len(new_y)):78 _interpolate.loginterp_dddd(x, y[i], new_x, new_y[i])79 else:80 new_y = np.zeros(len(new_x), np.float64)81 _interpolate.loginterp_dddd(x, y, new_x, new_y)82 return new_y83def block_average_above(x, y, new_x):84 """85 Linearly interpolates values in new_x based on the values in x and y.86 Parameters87 ----------88 x : array_like89 Independent values.90 y : array_like91 Dependent values.92 new_x : array_like93 The x values to interpolate y values.94 """95 bad_index = None96 x = atleast_1d_and_contiguous(x, np.float64)97 y = atleast_1d_and_contiguous(y, np.float64)98 new_x = atleast_1d_and_contiguous(new_x, np.float64)99 if y.ndim > 2:100 raise ValueError("`linear` only works with 1-D or 2-D arrays.")101 if len(y.shape) == 2:102 new_y = np.zeros((y.shape[0], len(new_x)), np.float64)103 for i in range(len(new_y)):104 bad_index = _interpolate.block_averave_above_dddd(x, y[i],105 new_x, new_y[i])106 if bad_index is not None:107 break108 else:109 new_y = np.zeros(len(new_x), np.float64)110 bad_index = _interpolate.block_average_above_dddd(x, y, new_x, new_y)111 if bad_index is not None:112 msg = "block_average_above cannot extrapolate and new_x[%d]=%f "\113 "is out of the x range (%f, %f)" % \114 (bad_index, new_x[bad_index], x[0], x[-1])115 raise ValueError(msg)116 return new_y117def block(x, y, new_x):118 """119 Essentially a step function.120 For each `new_x`, finds largest j such that``x[j] < new_x[j]`` and121 returns ``y[j]``.122 Parameters123 ----------124 x : array_like125 Independent values.126 y : array_like127 Dependent values.128 x_new : array_like129 The x values used to calculate the interpolated y.130 Returns131 -------132 block : ndarray133 Return array, of same length as `x_new`.134 """135 # find index of values in x that preceed values in x136 # This code is a little strange -- we really want a routine that137 # returns the index of values where x[j] < x[index]138 TINY = 1e-10139 indices = np.searchsorted(x, new_x+TINY)-1140 # If the value is at the front of the list, it'll have -1.141 # In this case, we will use the first (0), element in the array.142 # take requires the index array to be an Int143 indices = np.atleast_1d(np.clip(indices, 0, np.Inf).astype(np.int))144 new_y = np.take(y, indices, axis=-1)...
symbolic_opset11.py
Source:symbolic_opset11.py
...27 dims = self.type().sizes()28 if len(dims) != 4:29 return _unimplemented("pixel_shuffle", "only support 4d input")30 return g.op("DepthToSpace", self, blocksize_i=upscale_factor, mode_s="CRD")31def _interpolate(name, dim, interpolate_mode):32 def symbolic_fn(g, input, output_size, align_corners=None):33 align_corners = sym_help._maybe_get_scalar(align_corners)34 output_size = sym_help._maybe_get_const(output_size, 'is')35 if sym_help._is_value(output_size):36 offsets = g.op("Constant", value_t=torch.ones(2, dtype=torch.int64))37 output_size = g.op("Cast", output_size, to_i=sym_help.cast_pytorch_to_onnx["Long"])38 output_size = g.op("Concat", offsets, output_size, axis_i=0)39 else:40 output_size = [1 if i < 2 else output_size[-(dim - i)] for i in range(0, dim)]41 output_size = g.op("Constant", value_t=torch.tensor(output_size))42 coordinate_transformation_mode = "asymmetric" if interpolate_mode == "nearest" \43 else "align_corners" if align_corners else "pytorch_half_pixel"44 empty_tensor = g.op("Constant", value_t=torch.tensor([], dtype=torch.float32))45 return g.op("Resize",46 input,47 empty_tensor, # roi only takes effect whith coordinate_transformation_mode="tf_crop_and_resize"48 empty_tensor, # scales is not needed since we are sending out_size49 output_size,50 coordinate_transformation_mode_s=coordinate_transformation_mode,51 cubic_coeff_a_f=-0.75, # only valid when mode="cubic"52 mode_s=interpolate_mode, # nearest, linear, or cubic53 nearest_mode_s="floor") # only valid when mode="nearest"54 return symbolic_fn55upsample_nearest1d = _interpolate('upsample_nearest1d', 3, "nearest")56upsample_nearest2d = _interpolate('upsample_nearest2d', 4, "nearest")57upsample_nearest3d = _interpolate('upsample_nearest3d', 5, "nearest")58upsample_linear1d = _interpolate('upsample_linear1d', 3, "linear")59upsample_bilinear2d = _interpolate('upsample_bilinear2d', 4, "linear")60upsample_trilinear3d = _interpolate('upsample_trilinear3d', 5, "linear")61upsample_bicubic2d = _interpolate('upsample_bicubic2d', 4, "cubic")62@parse_args('v', 'i', 'v', 'v')63def gather(g, self, dim, index, sparse_grad=False):64 if sym_help._maybe_get_const(sparse_grad, 'i'):65 return _unimplemented("gather", "sparse_grad == True")66 if sym_help._operator_export_type == torch.onnx.OperatorExportTypes.ONNX_ATEN_FALLBACK:67 return g.op("ATen", self, dim, index, sparse_grad, operator_s="gather")68 return g.op("GatherElements", self, index, axis_i=dim)69@parse_args('v', 'i', 'v', 'v')70def scatter(g, self, dim, index, src):71 if sym_help._operator_export_type == torch.onnx.OperatorExportTypes.ONNX_ATEN_FALLBACK:72 return g.op("ATen", self, dim, index, src, operator_s="scatter")73 return g.op("ScatterElements", self, index, src, axis_i=dim)74@parse_args('v', 'i', 'none')75def cumsum(g, self, dim, dtype=None):...
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