Changeset 2763 for trunk/Substances.py


Ignore:
Timestamp:
Mar 29, 2017 1:57:33 PM (5 years ago)
Author:
vondreele
Message:

add plotting of reflectometry model scattering profiles
add magnetic scatterin component to refl. models (neutrons)
refactor model GUI
allow rescaling of REFD & PWDR profiles via Scale in Sample Parms
cange int element nos. to float ones in Substances

File:
1 edited

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  • trunk/Substances.py

    r2761 r2763  
    88Each entry in ''Substances'' consists of::
    99
    10      'key':{'Elements':{element:{'Num':number in formula},...},'Density':value, 'Volume':,value}
     10     'key':{'Elements':{element:{'Num':float number in formula},...},'Density':value, 'Volume':,value}
    1111
    1212Density & Volume are optional, if one missing it is calculated from the other; if both
     
    1616"""
    1717Substances = {
    18 'Alumina':{'Elements':{'Al':{'Num':2},'O':{'Num':3}},'Density':3.986,},
    19 'Water':{'Elements':{'O':{'Num':1},'H':{'Num':2}},'Density':1.0},
    20 'Silicon':{'Elements':{'Si':{'Num':8}},'Volume':160.209},
    21 'a-Quartz':{'Elements':{'Si':{'Num':3},'O':{'Num':6}},'Volume':113.057},
    22 'Ethanol':{'Elements':{'C':{'Num':2},'O':{'Num':1},'H':{'Num':6}},},
    23 'Polyethylene':{'Elements':{'C':{'Num':1},'H':{'Num':2}},'Density':0.93,},
    24 'Polystyrene':{'Elements':{'C':{'Num':1},'H':{'Num':1}},'Density':1.060,},
    25 'Teflon':{'Elements':{'C':{'Num':1},'F':{'Num':2}},'Density':2.25,},
    26 'Mylar':{'Elements':{'C':{'Num':5},'H':{'Num':4},'O':{'Num':2}},'Density':1.38,},
    27 'Iron':{'Elements':{'Fe':{'Num':4}},'Density':7.87,},
    28 'FeO-wustite':{'Elements':{'Fe':{'Num':4},'O':{'Num':4}},'Volume':79.285},
    29 'Fe2O3-hematite':{'Elements':{'Fe':{'Num':12},'O':{'Num':18}},'Volume':301.689},
    30 'Fe3O4-magnetite':{'Elements':{'Fe':{'Num':24},'O':{'Num':32}},'Volume':591.921},
    31 'Zirconium':{'Elements':{'Zr':{'Num':2}},'Density':6.51,},
    32 'Carbon':{'Elements':{'C':{'Num':1}},'Density':2.27,},
    33 'Titanium':{'Elements':{'Ti':{'Num':1}},'Density':4.51,},
    34 'TiO2-rutile':{'Elements':{'Ti':{'Num':2},'O':{'Num':4}},'Volume':62.452},
    35 'Chromium':{'Elements':{'Cr':{'Num':1}},'Density':7.19,},
    36 'Nickel':{'Elements':{'Ni':{'Num':4}},'Density':8.90,},
    37 'Copper':{'Elements':{'Cu':{'Num':4}},'Density':8.96,},
    38 'Hydroxyapatite':{'Elements':{'Ca':{'Num':5},'P':{'Num':3},'O':{'Num':13},'H':{'Num':1}},'Density':3.986,},
    39 'Cr2O3':{'Elements':{'Cr':{'Num':2},'O':{'Num':3}},'Density':5.206,},
    40 'ZrO2':{'Elements':{'Zr':{'Num':1},'O':{'Num':3}},'Density':6.134,},
    41 'Y(0.16)Zr(0.84)O2':{'Elements':{'Y':{'Num':0.16},'Zr':{'Num':0.84},'O':{'Num':2}},'Density':6.01,},
     18'Alumina':{'Elements':{'Al':{'Num':2.},'O':{'Num':3.}},'Density':3.986,},
     19'Water':{'Elements':{'O':{'Num':1.},'H':{'Num':2.}},'Density':1.0},
     20'Silicon':{'Elements':{'Si':{'Num':8.}},'Volume':160.209},
     21'a-Quartz':{'Elements':{'Si':{'Num':3.},'O':{'Num':6.}},'Volume':113.057},
     22'Ethanol':{'Elements':{'C':{'Num':2.},'O':{'Num':1},'H':{'Num':6.}},},
     23'Polyethylene':{'Elements':{'C':{'Num':1.},'H':{'Num':2.}},'Density':0.93,},
     24'Polystyrene':{'Elements':{'C':{'Num':1.},'H':{'Num':1.}},'Density':1.060,},
     25'Teflon':{'Elements':{'C':{'Num':1.},'F':{'Num':2.}},'Density':2.25,},
     26'Mylar':{'Elements':{'C':{'Num':5.},'H':{'Num':4.},'O':{'Num':2.}},'Density':1.38,},
     27'Iron':{'Elements':{'Fe':{'Num':4.}},'Density':7.87,},
     28'FeO-wustite':{'Elements':{'Fe':{'Num':4.},'O':{'Num':4.}},'Volume':79.285},
     29'Fe2O3-hematite':{'Elements':{'Fe':{'Num':12.},'O':{'Num':18.}},'Volume':301.689},
     30'Fe3O4-magnetite':{'Elements':{'Fe':{'Num':24.},'O':{'Num':32.}},'Volume':591.921},
     31'Zirconium':{'Elements':{'Zr':{'Num':2.}},'Density':6.51,},
     32'Carbon':{'Elements':{'C':{'Num':1.}},'Density':2.27,},
     33'Titanium':{'Elements':{'Ti':{'Num':1.}},'Density':4.51,},
     34'TiO2-rutile':{'Elements':{'Ti':{'Num':2.},'O':{'Num':4.}},'Volume':62.452},
     35'Chromium':{'Elements':{'Cr':{'Num':1.}},'Density':7.19,},
     36'Nickel':{'Elements':{'Ni':{'Num':4.}},'Density':8.90,},
     37'Copper':{'Elements':{'Cu':{'Num':4.}},'Density':8.96,},
     38'Hydroxyapatite':{'Elements':{'Ca':{'Num':5.},'P':{'Num':3.},'O':{'Num':13.},'H':{'Num':1.}},'Density':3.986,},
     39'Cr2O3':{'Elements':{'Cr':{'Num':2.},'O':{'Num':3.}},'Density':5.206,},
     40'ZrO2':{'Elements':{'Zr':{'Num':1.},'O':{'Num':3,}},'Density':6.134,},
     41'Y(0.16)Zr(0.84)O2':{'Elements':{'Y':{'Num':0.16},'Zr':{'Num':0.84},'O':{'Num':2.}},'Density':6.01,},
    4242}
    4343# they should not be duplicated in the UserSubstances.py file:
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