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units.cpp
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rSPECMICP SpecMiCP / ReactMiCP
units.cpp
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/* =============================================================================
Copyright (c) 2014 - 2016
F. Georget <fabieng@princeton.edu> Princeton University
All rights reserved.
Redistribution and use in source and binary forms, with or without modification,
are permitted provided that the following conditions are met:
1. Redistributions of source code must retain the above copyright notice,
this list of conditions and the following disclaimer.
2. Redistributions in binary form must reproduce the above copyright notice,
this list of conditions and the following disclaimer in the documentation
and/or other materials provided with the distribution.
3. Neither the name of the copyright holder nor the names of its
contributors may be used to endorse or promote products derived from this
software without specific prior written permission.
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR
ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
(INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON
ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
(INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. *
============================================================================= */
#include "units.hpp"
#include <algorithm>
namespace
specmicp
{
namespace
units
{
const
UnitsSet
SI_units
{};
const
UnitsSet
CMG_units
(
MassUnit
::
gram
,
LengthUnit
::
centimeter
,
QuantityUnit
::
moles
);
scalar_t
scaling_factor
(
LengthUnit
length_unit
)
{
scalar_t
scaling
=
NAN
;
// just to be sure in case another unit is added
switch
(
length_unit
)
{
case
LengthUnit
::
meter:
scaling
=
1.0
;
break
;
case
LengthUnit
::
decimeter:
scaling
=
0.1
;
break
;
case
LengthUnit
::
centimeter:
scaling
=
0.01
;
}
return
scaling
;
}
template
<>
auto
from_scaling_factor
<
LengthUnit
>
(
scalar_t
&
scaling
)
->
LengthUnit
{
LengthUnit
unit
;
if
(
scaling
>=
0.99
)
{
unit
=
LengthUnit
::
meter
;
}
else
if
(
scaling
>=
0.099
)
{
scaling
*=
10.0
;
unit
=
LengthUnit
::
decimeter
;
}
else
{
scaling
*=
100.0
;
unit
=
LengthUnit
::
centimeter
;
}
return
unit
;
}
scalar_t
scaling_factor
(
MassUnit
mass_unit
)
{
scalar_t
scaling
=
NAN
;
// just to be sure in case another unit is added
switch
(
mass_unit
)
{
case
MassUnit
::
kilogram:
scaling
=
1.0
;
break
;
case
MassUnit
::
gram:
scaling
=
1e-3
;
break
;
}
return
scaling
;
}
template
<>
auto
from_scaling_factor
<
MassUnit
>
(
scalar_t
&
scaling
)
->
MassUnit
{
MassUnit
unit
;
if
(
scaling
>=
0.1
)
{
unit
=
MassUnit
::
kilogram
;
}
else
{
scaling
*=
1e3
;
unit
=
MassUnit
::
gram
;
}
return
unit
;
}
scalar_t
scaling_factor
(
QuantityUnit
qty_unit
)
{
scalar_t
scaling
=
NAN
;
// just to be sure in case another unit is added
switch
(
qty_unit
)
{
case
QuantityUnit
::
moles:
scaling
=
1.0
;
break
;
case
QuantityUnit
::
millimoles:
scaling
=
1e-3
;
break
;
}
return
scaling
;
}
template
<>
auto
from_scaling_factor
<
QuantityUnit
>
(
scalar_t
&
scaling
)
->
QuantityUnit
{
QuantityUnit
unit
;
if
(
scaling
>=
0.1
)
{
unit
=
QuantityUnit
::
moles
;
}
else
{
scaling
*=
1e3
;
unit
=
QuantityUnit
::
millimoles
;
}
return
unit
;
}
scalar_t
convert_pressure
(
scalar_t
pressure_si
,
LengthUnit
length_unit
)
{
scalar_t
pressure
;
switch
(
length_unit
)
{
case
LengthUnit
::
meter:
pressure
=
pressure_si
;
break
;
case
LengthUnit
::
decimeter:
pressure
=
1e-2
*
pressure_si
;
break
;
case
LengthUnit
::
centimeter:
pressure
=
1e-4
*
pressure_si
;
}
return
pressure
;
}
AmountUnit
parse_amount_unit
(
const
std
::
string
&
unit
)
{
AmountUnit
amounts
;
parse_amount_unit
(
unit
,
amounts
);
return
amounts
;
}
void
parse_amount_unit
(
std
::
string
unit
,
AmountUnit
&
amounts
)
{
auto
n
=
unit
.
find
(
"/"
);
amounts
.
type
=
AmountUnitType
::
Unknown
;
amounts
.
factor_si
=
-
1
;
scalar_t
factor
;
if
(
n
==
std
::
string
::
npos
)
{
unit
.
erase
(
std
::
remove
(
unit
.
begin
(),
unit
.
end
(),
' '
),
unit
.
end
());
factor
=
is_mass_unit
(
unit
);
if
(
factor
>
0
)
{
amounts
.
type
=
AmountUnitType
::
Mass
;
amounts
.
factor_si
=
factor
;
return
;
}
factor
=
is_mole_unit
(
unit
);
if
(
factor
>
0
)
{
amounts
.
type
=
AmountUnitType
::
NumberOfMoles
;
amounts
.
factor_si
=
factor
;
return
;
}
factor
=
is_volume_unit
(
unit
);
if
(
factor
>
0
)
{
amounts
.
type
=
AmountUnitType
::
Volume
;
amounts
.
factor_si
=
factor
;
return
;
}
}
else
{
// composite unit
std
::
string
numer
=
unit
.
substr
(
0
,
n
);
numer
.
erase
(
std
::
remove
(
numer
.
begin
(),
numer
.
end
(),
' '
),
numer
.
end
());
std
::
string
denom
=
unit
.
substr
(
n
+
1
,
unit
.
size
()
-
n
);
denom
.
erase
(
std
::
remove
(
denom
.
begin
(),
denom
.
end
(),
' '
),
denom
.
end
());
scalar_t
factor_numer
=
-
1
;
scalar_t
factor_denom
=
-
1
;
factor_denom
=
is_volume_unit
(
denom
);
if
(
factor_denom
>
0
)
{
// concentration
factor_numer
=
is_mass_unit
(
numer
);
if
(
factor_numer
>
0
)
{
amounts
.
type
=
AmountUnitType
::
MassConcentration
;
amounts
.
factor_si
=
factor_numer
/
factor_denom
;
return
;
}
factor_numer
=
is_mole_unit
(
numer
);
if
(
factor_numer
>
0
)
{
amounts
.
type
=
AmountUnitType
::
MoleConcentration
;
amounts
.
factor_si
=
factor_numer
/
factor_denom
;
return
;
}
factor_numer
=
is_volume_unit
(
numer
);
if
(
factor_numer
>
0
)
{
amounts
.
type
=
AmountUnitType
::
VolumeFraction
;
amounts
.
factor_si
=
factor_numer
/
factor_denom
;
return
;
}
return
;
}
factor_denom
=
is_mass_unit
(
denom
);
if
(
factor_denom
>
0
)
{
factor_numer
=
is_mole_unit
(
numer
);
if
(
factor_numer
>
0
)
{
amounts
.
type
=
AmountUnitType
::
Molality
;
amounts
.
factor_si
=
factor_numer
/
factor_denom
;
return
;
}
}
}
}
scalar_t
is_mass_unit
(
const
std
::
string
&
unit
)
{
scalar_t
factor
=
-
1
;
if
(
unit
==
"kg"
or
unit
==
"kilogram"
)
factor
=
1
;
else
if
(
unit
==
"g"
or
unit
==
"gram"
)
factor
=
1e-3
;
return
factor
;
}
scalar_t
is_length_unit
(
const
std
::
string
&
unit
)
{
scalar_t
factor
=
-
1
;
if
(
unit
==
"m"
or
unit
==
"meter"
)
factor
=
1
;
else
if
(
unit
==
"dm"
or
unit
==
"decimeter"
)
factor
=
0.1
;
else
if
(
unit
==
"cm"
or
unit
==
"centimeter"
)
factor
=
0.01
;
else
if
(
unit
==
"mm"
or
unit
==
"millimeter"
)
factor
=
1e-3
;
return
factor
;
}
scalar_t
is_volume_unit
(
const
std
::
string
&
unit
)
{
scalar_t
factor
=
-
1
;
if
(
unit
==
"m^3"
or
unit
==
"cubicmeter"
)
factor
=
1
;
else
if
(
unit
==
"dm^3"
or
unit
==
"cubicdecimeter"
or
unit
==
"L"
)
factor
=
1e-3
;
else
if
(
unit
==
"cm^3"
or
unit
==
"cubiccentimeter"
or
unit
==
"mL"
)
factor
=
1e-6
;
else
if
(
unit
==
"mm^3"
or
unit
==
"cubicmillimeter"
)
factor
=
1e-9
;
return
factor
;
}
scalar_t
is_mole_unit
(
const
std
::
string
&
unit
)
{
scalar_t
factor
=
-
1
;
if
(
unit
==
"mol"
or
unit
==
"moles"
)
factor
=
1
;
else
if
(
unit
==
"mmol"
or
unit
==
"millimoles"
)
factor
=
1e-3
;
return
factor
;
}
}
//end namespace units
}
//end namespace specmicp
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