def economic_status(CASRN,
Method=None,
AvailableMethods=False): # pragma: no cover
'''Look up the economic status of a chemical.
This API is considered experimental, and is expected to be removed in a
future release in favor of a more complete object-oriented interface.
>>> pprint(economic_status(CASRN='98-00-0'))
["US public: {'Manufactured': 0.0, 'Imported': 10272.711, 'Exported': 184.127}",
u'10,000 - 100,000 tonnes per annum',
'OECD HPV Chemicals']
>>> economic_status(CASRN='13775-50-3') # SODIUM SESQUISULPHATE
[]
>>> economic_status(CASRN='98-00-0', Method='OECD high production volume chemicals')
'OECD HPV Chemicals'
>>> economic_status(CASRN='98-01-1', Method='European Chemicals Agency Total Tonnage Bands')
[u'10,000 - 100,000 tonnes per annum']
'''
load_economic_data()
CASi = CAS2int(CASRN)
def list_methods():
methods = []
methods.append('Combined')
if CASRN in _EPACDRDict:
methods.append(EPACDR)
if CASRN in _ECHATonnageDict:
methods.append(ECHA)
if CASi in HPV_data.index:
methods.append(OECD)
methods.append(NONE)
return methods
if AvailableMethods:
return list_methods()
if not Method:
Method = list_methods()[0]
# This is the calculate, given the method section
if Method == EPACDR:
status = 'US public: ' + str(_EPACDRDict[CASRN])
elif Method == ECHA:
status = _ECHATonnageDict[CASRN]
elif Method == OECD:
status = 'OECD HPV Chemicals'
elif Method == 'Combined':
status = []
if CASRN in _EPACDRDict:
status += ['US public: ' + str(_EPACDRDict[CASRN])]
if CASRN in _ECHATonnageDict:
status += _ECHATonnageDict[CASRN]
if CASi in HPV_data.index:
status += ['OECD HPV Chemicals']
elif Method == NONE:
status = None
else:
raise Exception('Failure in in function')
return status
def test_dippr_list():
# TODO CASs formulas
assert 12916928773 == sum([CAS2int(i) for i in dippr_compounds])
assert all([checkCAS(i) for i in dippr_compounds])
def legal_status(CASRN, Method=None, AvailableMethods=False, CASi=None):
r'''Looks up the legal status of a chemical according to either a specifc
method or with all methods.
Returns either the status as a string for a specified method, or the
status of the chemical in all available data sources, in the format
{source: status}.
Parameters
----------
CASRN : string
CASRN [-]
Returns
-------
status : str or dict
Legal status information [-]
methods : list, only returned if AvailableMethods == True
List of methods which can be used to obtain legal status with the
given inputs
Other Parameters
----------------
Method : string, optional
A string for the method name to use, as defined by constants in
legal_status_methods
AvailableMethods : bool, optional
If True, function will determine which methods can be used to obtain
the legal status for the desired chemical, and will return methods
instead of the status
CASi : int, optional
CASRN as an integer, used internally [-]
Notes
-----
Supported methods are:
* **DSL**: Canada Domestic Substance List, [1]_. As extracted on Feb 11, 2015
from a html list. This list is updated continuously, so this version
will always be somewhat old. Strictly speaking, there are multiple
lists but they are all bundled together here. A chemical may be
'Listed', or be on the 'Non-Domestic Substances List (NDSL)',
or be on the list of substances with 'Significant New Activity (SNAc)',
or be on the DSL but with a 'Ministerial Condition pertaining to this
substance', or have been removed from the DSL, or have had a
Ministerial prohibition for the substance.
* **TSCA**: USA EPA Toxic Substances Control Act Chemical Inventory, [2]_.
This list is as extracted on 2016-01. It is believed this list is
updated on a periodic basis (> 6 month). A chemical may simply be
'Listed', or may have certain flags attached to it. All these flags
are described in the dict TSCA_flags.
* **EINECS**: European INventory of Existing Commercial chemical
Substances, [3]_. As extracted from a spreadsheet dynamically
generated at [1]_. This list was obtained March 2015; a more recent
revision already exists.
* **NLP**: No Longer Polymers, a list of chemicals with special
regulatory exemptions in EINECS. Also described at [3]_.
* **SPIN**: Substances Prepared in Nordic Countries. Also a boolean
data type. Retrieved 2015-03 from [4]_.
Other methods which could be added are:
* Australia: AICS Australian Inventory of Chemical Substances
* China: Inventory of Existing Chemical Substances Produced or Imported
in China (IECSC)
* Europe: REACH List of Registered Substances
* India: List of Hazardous Chemicals
* Japan: ENCS: Inventory of existing and new chemical substances
* Korea: Existing Chemicals Inventory (KECI)
* Mexico: INSQ National Inventory of Chemical Substances in Mexico
* New Zealand: Inventory of Chemicals (NZIoC)
* Philippines: PICCS Philippines Inventory of Chemicals and Chemical
Substances
Examples
--------
>>> legal_status('64-17-5')
{'Toxic Substances Control Act (Environmental Protection Agency)': 'Listed', 'Substances in Preparations In the Nordic countries': 'Listed', 'Domestic Substances List (Environment Canada)': 'Listed', 'European INventory of Existing Commercial chemical Substances': 'Listed', 'EINECS No-Longer Polymers': 'Unlisted'}
References
----------
.. [1] Government of Canada.. "Substances Lists" Feb 11, 2015.
https://www.ec.gc.ca/subsnouvelles-newsubs/default.asp?n=47F768FE-1.
.. [2] US EPA. "TSCA Chemical Substance Inventory." Accessed April 2016.
https://www.epa.gov/tsca-inventory.
.. [3] ECHA. "EC Inventory". Accessed March 2015.
http://echa.europa.eu/information-on-chemicals/ec-inventory.
.. [4] SPIN. "SPIN Substances in Products In Nordic Countries." Accessed
March 2015. http://195.215.202.233/DotNetNuke/default.aspx.
'''
if not CASi:
CASi = CAS2int(CASRN)
methods = [COMBINED, DSL, TSCA, EINECS, NLP, SPIN]
if AvailableMethods:
return methods
if not Method:
Method = methods[0]
if Method == DSL:
if CASi in DSL_data.index:
status = CAN_DSL_flags[DSL_data.at[CASi, 'Registry']]
else:
status = UNLISTED
elif Method == TSCA:
if CASi in TSCA_data.index:
data = TSCA_data.loc[CASi].to_dict()
if any(data.values()):
status = sorted(
[TSCA_flags[i] for i in data.keys() if data[i]])
else:
status = LISTED
else:
status = UNLISTED
elif Method == EINECS:
if CASi in EINECS_data.index:
status = LISTED
else:
status = UNLISTED
elif Method == NLP:
if CASi in NLP_data.index:
status = LISTED
else:
status = UNLISTED
elif Method == SPIN:
if CASi in SPIN_data.index:
status = LISTED
else:
status = UNLISTED
elif Method == COMBINED:
status = {}
for method in methods[1:]:
status[method] = legal_status(CASRN, Method=method, CASi=CASi)
else:
raise Exception('Failure in in function')
return status
def search_CAS(self, CAS, autoload=True):
if type(CAS) != int:
CAS = CAS2int(CAS)
return self._search_autoload(CAS, self.CAS_index, autoload=autoload)